(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide

C23H28N4O5 — CID 92653839

IUPAC(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C23H28N4O5/c1-31-18-7-4-6-17(16-18)27-22(29)25-20-9-3-2-8-19(20)23(27,30)21(28)24-10-5-11-26-12-14-32-15-13-26/h2-4,6-9,16,30H,5,10-15H2,1H3,(H,24,28)(H,25,29)/t23-/m1/s1
InChIKeyNNTPGKNNWWTCDH-HSZRJFAPSA-N
MW440.50 g/mol
LogP1.73
Rot. Bonds7

About (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide

(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide (PubChem CID 92653839) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
PubChem CID92653839
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
SMILESCOc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCCN2CCOCC2)c1
InChIInChI=1S/C23H28N4O5/c1-31-18-7-4-6-17(16-18)27-22(29)25-20-9-3-2-8-19(20)23(27,30)21(28)24-10-5-11-26-12-14-32-15-13-26/h2-4,6-9,16,30H,5,10-15H2,1H3,(H,24,28)(H,25,29)/t23-/m1/s1
InChIKeyNNTPGKNNWWTCDH-HSZRJFAPSA-N
XLogP1.73
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-3-(2,4-dimethoxyphenyl)-4-hydroxy-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-quinazoline-4-carboxamide
CID 95041927
3-(4-ethylphenyl)-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-4-carboxamide
CID 3549664
(4R)-3-(2,4-dimethoxyphenyl)-4-hydroxy-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 93156073
6-bromo-3-(2,6-difluorophenyl)-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 5203885
2-[[6-bromo-4-hydroxy-3-(3-methoxyphenyl)-2-oxo-1H-quinazoline-4-carbonyl]amino]ethyl-dimethylazanium
CID 4057809
1-[4-[(3-methoxyphenyl)sulfonylamino]phenyl]-N-(3-morpholin-4-ylpropyl)cyclopropane-1-carboxamide
CID 46378229
5-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 17252860
2-(3-methoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448767
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
2-amino-4-methoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 80503310
3-(3,4-dimethylphenyl)-4-hydroxy-N-[(4-methylphenyl)methyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 4319482

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide?
The IUPAC name of (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide (CID 92653839) is (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide.
What is the SMILES notation for (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide?
The canonical SMILES for (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide is COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCCN2CCOCC2)c1.
What is the InChIKey of (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide?
The InChIKey is NNTPGKNNWWTCDH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-31-18-7-4-6-17(16-18)27-22(29)25-20-9-3-2-8-19(20)23(27,30)21(28)24-10-5-11-26-12-14-32-15-13-26/h2-4,6-9,16,30H,5,10-15H2,1H3,(H,24,28)(H,25,29)/t23-/m1/s1.
What are the key properties of (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide?
(4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-3-(3-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 92653839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).