8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline

C64H62Br2ClN13O5 — CID 161294403

IUPAC8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline
SMILESBrc1cccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc12.C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4OC)nc23)c1.Clc1ncc2cccc(Br)c2n1.Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C28H27N5O3.C18H17BrN4O.C10H14N2O.C8H4BrClN2/c1-3-26(34)30-21-8-4-6-19(16-21)23-9-5-7-20-18-29-28(32-27(20)23)31-24-11-10-22(17-25(24)35-2)33-12-14-36-15-13-33;19-16-3-1-2-13-12-20-18(22-17(13)16)21-14-4-6-15(7-5-14)23-8-10-24-11-9-23;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;9-6-3-1-2-5-4-11-8(10)12-7(5)6/h3-11,16-18H,1,12-15H2,2H3,(H,30,34)(H,29,31,32);1-7,12H,8-11H2,(H,20,21,22);1-4H,5-8,11H2;1-4H
InChIKeyVGTZQVPQAZDGIH-UHFFFAOYSA-N
MW1288.55 g/mol
LogP13.13
Rot. Bonds11

About 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline

8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline (PubChem CID 161294403) has the molecular formula C64H62Br2ClN13O5 and a molecular weight of 1288.55 g/mol. Its IUPAC name is 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline.

Molecular Properties

Compound Name8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline
PubChem CID161294403
Molecular FormulaC64H62Br2ClN13O5
Molecular Weight1288.55 g/mol
Exact Mass1285.31
IUPAC Name8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline
SMILESBrc1cccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc12.C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4OC)nc23)c1.Clc1ncc2cccc(Br)c2n1.Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C28H27N5O3.C18H17BrN4O.C10H14N2O.C8H4BrClN2/c1-3-26(34)30-21-8-4-6-19(16-21)23-9-5-7-20-18-29-28(32-27(20)23)31-24-11-10-22(17-25(24)35-2)33-12-14-36-15-13-33;19-16-3-1-2-13-12-20-18(22-17(13)16)21-14-4-6-15(7-5-14)23-8-10-24-11-9-23;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;9-6-3-1-2-5-4-11-8(10)12-7(5)6/h3-11,16-18H,1,12-15H2,2H3,(H,30,34)(H,29,31,32);1-7,12H,8-11H2,(H,20,21,22);1-4H,5-8,11H2;1-4H
InChIKeyVGTZQVPQAZDGIH-UHFFFAOYSA-N
XLogP13.13
TPSA203.16 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.55
LogP ≤ 513.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-[4-[(3R)-3-(aminomethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 118162858
8-(3-aminophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-2-amine;methane;N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]phenyl]prop-2-enamide;prop-2-enoyl chloride
CID 162105137
N-[3-[2-(4-aminoanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 138463042
(Z)-but-2-enedial;N-[3-[2-[4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide;methanol
CID 144797268
N-[2-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163037
N-[3-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]-4-methoxyphenyl]prop-2-enamide
CID 118361750
N,1-dimethyl-4-[4-[[8-[3-(prop-2-enoylamino)phenyl]quinazolin-2-yl]amino]phenyl]piperazine-2-carboxamide
CID 123909291
N-[3-[[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-5-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 153406318
N-[3-[[4-[4-(4-acetylpiperazin-1-yl)-2-methoxyanilino]-5-bromopyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 141482950
N-[3-[2-(4-morpholin-4-ylanilino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]phenyl]prop-2-enamide
CID 122616667
N-[3-(2-chloroquinazolin-8-yl)phenyl]prop-2-enamide;2-fluoro-4-[1-(2-fluoroethyl)piperidin-4-yl]oxyaniline;N-[3-[2-[2-fluoro-4-[1-(2-fluoroethyl)piperidin-4-yl]oxyanilino]quinazolin-8-yl]phenyl]prop-2-enamide;methane
CID 160763357
N-[3-[5-anilino-2-(3-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 118361754

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline?
The IUPAC name of 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline (CID 161294403) is 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline.
What is the SMILES notation for 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline?
The canonical SMILES for 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline is Brc1cccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc12.C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCOCC5)cc4OC)nc23)c1.Clc1ncc2cccc(Br)c2n1.Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline?
The InChIKey is VGTZQVPQAZDGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.C18H17BrN4O.C10H14N2O.C8H4BrClN2/c1-3-26(34)30-21-8-4-6-19(16-21)23-9-5-7-20-18-29-28(32-27(20)23)31-24-11-10-22(17-25(24)35-2)33-12-14-36-15-13-33;19-16-3-1-2-13-12-20-18(22-17(13)16)21-14-4-6-15(7-5-14)23-8-10-24-11-9-23;11-9-1-3-10(4-2-9)12-5-7-13-8-6-12;9-6-3-1-2-5-4-11-8(10)12-7(5)6/h3-11,16-18H,1,12-15H2,2H3,(H,30,34)(H,29,31,32);1-7,12H,8-11H2,(H,20,21,22);1-4H,5-8,11H2;1-4H.
What are the key properties of 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline?
8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline has a molecular weight of 1288.55 g/mol, XLogP of 13.13, 11 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloroquinazoline;8-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine;N-[3-[2-(2-methoxy-4-morpholin-4-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide;4-morpholin-4-ylaniline is sourced from PubChem (CID 161294403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).