1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one

C26H27N4O2P — CID 135268596

IUPAC1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one
SMILESCc1cc(P)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1cccc(=O)n1C
InChIInChI=1S/C26H27N4O2P/c1-17-12-24(33)22(14-18(17)13-19-4-3-5-25(31)29(19)2)26-21-7-6-20(15-23(21)27-16-28-26)30-8-10-32-11-9-30/h3-7,12,14-16H,8-11,13,33H2,1-2H3
InChIKeyLQVOAQNBKUEHKL-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.23
Rot. Bonds4

About 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one

1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one (PubChem CID 135268596) has the molecular formula C26H27N4O2P and a molecular weight of 458.50 g/mol. Its IUPAC name is 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one
PubChem CID135268596
Molecular FormulaC26H27N4O2P
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one
SMILESCc1cc(P)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1cccc(=O)n1C
InChIInChI=1S/C26H27N4O2P/c1-17-12-24(33)22(14-18(17)13-19-4-3-5-25(31)29(19)2)26-21-7-6-20(15-23(21)27-16-28-26)30-8-10-32-11-9-30/h3-7,12,14-16H,8-11,13,33H2,1-2H3
InChIKeyLQVOAQNBKUEHKL-UHFFFAOYSA-N
XLogP3.23
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one with MolForge

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Related Compounds

2-[6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methyl]pyridazin-3-yl]oxypropanenitrile
CID 135268379
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
CID 135268702
6-[[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-methylpyridazin-3-one
CID 118954888
4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
CID 135268460
4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 144744787
4-(4-ethyl-3-methylphenyl)morpholine
CID 71052308
6-[[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-hydroxymethyl]-2-(2-hydroxyethyl)pyridazin-3-one
CID 118954862
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
(3-bromo-5-methoxy-2-pyridinyl)-[4-methyl-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 135268560
4-[3,5-dimethyl-4-[(2-methyl-4-morpholin-4-ylphenyl)methyl]phenyl]morpholine
CID 135200886
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one (CID 135268596) is 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one is Cc1cc(P)c(-c2ncnc3cc(N4CCOCC4)ccc23)cc1Cc1cccc(=O)n1C.
What is the InChIKey of 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one?
The InChIKey is LQVOAQNBKUEHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N4O2P/c1-17-12-24(33)22(14-18(17)13-19-4-3-5-25(31)29(19)2)26-21-7-6-20(15-23(21)27-16-28-26)30-8-10-32-11-9-30/h3-7,12,14-16H,8-11,13,33H2,1-2H3.
What are the key properties of 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one?
1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one has a molecular weight of 458.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[[2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)-4-phosphanylphenyl]methyl]pyridin-2-one is sourced from PubChem (CID 135268596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).