N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

C25H22FN7O2 — CID 175012176

IUPACN-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(-c2c(F)ccc3cnc(Nc4ccc(C5CNCCO5)nc4)nc23)c1
InChIInChI=1S/C25H22FN7O2/c1-2-22(34)31-16-7-8-28-20(11-16)23-18(26)5-3-15-12-30-25(33-24(15)23)32-17-4-6-19(29-13-17)21-14-27-9-10-35-21/h2-8,11-13,21,27H,1,9-10,14H2,(H,28,31,34)(H,30,32,33)
InChIKeyQGEQVLJUVRDVON-UHFFFAOYSA-N
MW471.50 g/mol
LogP3.75
Rot. Bonds6

About N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (PubChem CID 175012176) has the molecular formula C25H22FN7O2 and a molecular weight of 471.50 g/mol. Its IUPAC name is N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
PubChem CID175012176
Molecular FormulaC25H22FN7O2
Molecular Weight471.50 g/mol
Exact Mass471.18
IUPAC NameN-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(-c2c(F)ccc3cnc(Nc4ccc(C5CNCCO5)nc4)nc23)c1
InChIInChI=1S/C25H22FN7O2/c1-2-22(34)31-16-7-8-28-20(11-16)23-18(26)5-3-15-12-30-25(33-24(15)23)32-17-4-6-19(29-13-17)21-14-27-9-10-35-21/h2-8,11-13,21,27H,1,9-10,14H2,(H,28,31,34)(H,30,32,33)
InChIKeyQGEQVLJUVRDVON-UHFFFAOYSA-N
XLogP3.75
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.50
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[7-fluoro-2-[[6-[(2R)-2-(hydroxymethyl)morpholin-2-yl]-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175012263
N-[2-[7-chloro-2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175030936
N-[2-[7-fluoro-2-[4-[(2R)-2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175013636
N-[2-[7-fluoro-2-(4-morpholin-4-ylanilino)quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118162939
N-[3-[2-[[6-[(2S)-3-(aminomethyl)morpholin-2-yl]-3-pyridinyl]amino]-7-fluoroquinazolin-8-yl]phenyl]prop-2-enamide
CID 175011522
N-[2-[7-fluoro-2-[[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163104
N-[2-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175337983
N-[3-[7-chloro-2-(4-morpholin-2-ylanilino)quinazolin-8-yl]phenyl]prop-2-enamide
CID 175012181
N-[3-[2-[[6-[(2S)-2-(aminomethyl)morpholin-2-yl]-3-pyridinyl]amino]-7-fluoroquinazolin-8-yl]phenyl]prop-2-enamide
CID 175013130
(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175017218
8-(2,6-difluorophenyl)-N-(4-morpholin-2-ylphenyl)quinazolin-2-amine
CID 175011011
N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010659

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The IUPAC name of N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (CID 175012176) is N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccnc(-c2c(F)ccc3cnc(Nc4ccc(C5CNCCO5)nc4)nc23)c1.
What is the InChIKey of N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The InChIKey is QGEQVLJUVRDVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O2/c1-2-22(34)31-16-7-8-28-20(11-16)23-18(26)5-3-15-12-30-25(33-24(15)23)32-17-4-6-19(29-13-17)21-14-27-9-10-35-21/h2-8,11-13,21,27H,1,9-10,14H2,(H,28,31,34)(H,30,32,33).
What are the key properties of N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide has a molecular weight of 471.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-fluoro-2-[(6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 175012176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).