N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

C27H26N6O3 — CID 175010659

IUPACN-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5(CO)CNCCO5)cc4)nc23)c1
InChIInChI=1S/C27H26N6O3/c1-2-24(35)31-21-10-11-29-23(14-21)22-5-3-4-18-15-30-26(33-25(18)22)32-20-8-6-19(7-9-20)27(17-34)16-28-12-13-36-27/h2-11,14-15,28,34H,1,12-13,16-17H2,(H,29,31,35)(H,30,32,33)
InChIKeyDZIISORLORQUKE-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.37
Rot. Bonds7

About N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide

N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (PubChem CID 175010659) has the molecular formula C27H26N6O3 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
PubChem CID175010659
Molecular FormulaC27H26N6O3
Molecular Weight482.54 g/mol
Exact Mass482.21
IUPAC NameN-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5(CO)CNCCO5)cc4)nc23)c1
InChIInChI=1S/C27H26N6O3/c1-2-24(35)31-21-10-11-29-23(14-21)22-5-3-4-18-15-30-26(33-25(18)22)32-20-8-6-19(7-9-20)27(17-34)16-28-12-13-36-27/h2-11,14-15,28,34H,1,12-13,16-17H2,(H,29,31,35)(H,30,32,33)
InChIKeyDZIISORLORQUKE-UHFFFAOYSA-N
XLogP3.37
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide with MolForge

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Related Compounds

N-[3-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 175010337
N-[2-[7-fluoro-2-[4-[(2R)-2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175013636
N-[3-[2-[4-[(2S)-2-(aminomethyl)morpholin-2-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
CID 175012118
N-[2-[2-[4-[2-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010452
N-[2-[2-[[6-[(2S)-2-(aminomethyl)morpholin-2-yl]-2-methoxy-3-pyridinyl]amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175010800
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-[2-[(2-methoxy-6-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175337983
4-(dimethylamino)-N-[2-[2-(4-piperazin-1-ylanilino)quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 154060338
N-[2-[2-[4-[3-(aminomethyl)morpholin-2-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 175011403
N-[3-[2-[[6-[(2S)-2-(aminomethyl)morpholin-2-yl]-3-pyridinyl]amino]-7-fluoroquinazolin-8-yl]phenyl]prop-2-enamide
CID 175013130
N-[2-[2-[4-[(2R)-2-(hydroxymethyl)morpholin-4-yl]-2-methoxyanilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 118163037
(E)-3-fluoro-N-[2-[2-[(2-morpholin-2-yl-3-pyridinyl)amino]quinazolin-8-yl]-4-pyridinyl]but-2-enamide
CID 175017218

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The IUPAC name of N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide (CID 175010659) is N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is C=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5(CO)CNCCO5)cc4)nc23)c1.
What is the InChIKey of N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
The InChIKey is DZIISORLORQUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O3/c1-2-24(35)31-21-10-11-29-23(14-21)22-5-3-4-18-15-30-26(33-25(18)22)32-20-8-6-19(7-9-20)27(17-34)16-28-12-13-36-27/h2-11,14-15,28,34H,1,12-13,16-17H2,(H,29,31,35)(H,30,32,33).
What are the key properties of N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide?
N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide has a molecular weight of 482.54 g/mol, XLogP of 3.37, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[2-(hydroxymethyl)morpholin-2-yl]anilino]quinazolin-8-yl]-4-pyridinyl]prop-2-enamide is sourced from PubChem (CID 175010659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).