3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C27H32N4O4 — CID 55358331

IUPAC3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)N2CCOCC2)cc1
InChIInChI=1S/C27H32N4O4/c1-34-21-10-6-19(7-11-21)24(30-14-16-35-17-15-30)18-28-26(32)13-12-25-29-23-5-3-2-4-22(23)27(33)31(25)20-8-9-20/h2-7,10-11,20,24H,8-9,12-18H2,1H3,(H,28,32)
InChIKeyBZSOGDCFOQRSBG-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.86
Rot. Bonds9

About 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide

3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 55358331) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID55358331
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)N2CCOCC2)cc1
InChIInChI=1S/C27H32N4O4/c1-34-21-10-6-19(7-11-21)24(30-14-16-35-17-15-30)18-28-26(32)13-12-25-29-23-5-3-2-4-22(23)27(33)31(25)20-8-9-20/h2-7,10-11,20,24H,8-9,12-18H2,1H3,(H,28,32)
InChIKeyBZSOGDCFOQRSBG-UHFFFAOYSA-N
XLogP2.86
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 44892273
2-(2,4-dimethylquinolin-3-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 31405313
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
2-(benzotriazol-1-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 51336102
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-naphthalen-2-yloxyacetamide
CID 44892270
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 42905308
2-(4-iodophenoxy)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112793405
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713099
3-(3-bromo-4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 55574638

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 55358331) is 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCc2nc3ccccc3c(=O)n2C2CC2)N2CCOCC2)cc1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is BZSOGDCFOQRSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-34-21-10-6-19(7-11-21)24(30-14-16-35-17-15-30)18-28-26(32)13-12-25-29-23-5-3-2-4-22(23)27(33)31(25)20-8-9-20/h2-7,10-11,20,24H,8-9,12-18H2,1H3,(H,28,32).
What are the key properties of 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 476.58 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 55358331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).