3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

C26H30N4O3 — CID 134013163

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C26H30N4O3/c1-28(18-19-6-8-20(9-7-19)29-14-16-33-17-15-29)25(31)13-12-24-27-23-5-3-2-4-22(23)26(32)30(24)21-10-11-21/h2-9,21H,10-18H2,1H3
InChIKeyUNQDEAZCHMMTQG-UHFFFAOYSA-N
MW446.55 g/mol
LogP3.16
Rot. Bonds7

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 134013163) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID134013163
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1
InChIInChI=1S/C26H30N4O3/c1-28(18-19-6-8-20(9-7-19)29-14-16-33-17-15-29)25(31)13-12-24-27-23-5-3-2-4-22(23)26(32)30(24)21-10-11-21/h2-9,21H,10-18H2,1H3
InChIKeyUNQDEAZCHMMTQG-UHFFFAOYSA-N
XLogP3.16
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 26972821
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoic acid
CID 7131753
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 55891425
methyl 2-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580760
N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 55454987
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 134013174
3-[4-oxo-3-(oxolan-3-yl)quinazolin-2-yl]propanoic acid
CID 80713286
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]propanamide
CID 55360025
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 55358562
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 24551831

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide (CID 134013163) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1nc2ccccc2c(=O)n1C1CC1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is UNQDEAZCHMMTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-28(18-19-6-8-20(9-7-19)29-14-16-33-17-15-29)25(31)13-12-24-27-23-5-3-2-4-22(23)26(32)30(24)21-10-11-21/h2-9,21H,10-18H2,1H3.
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 446.55 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 134013163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).