N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide

C23H23N3O3 — CID 1456638

IUPACN-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
SMILESCOc1cccc(Cn2c(C3CC3)nc3ccc(NC(=O)C4CC4)cc3c2=O)c1
InChIInChI=1S/C23H23N3O3/c1-29-18-4-2-3-14(11-18)13-26-21(15-5-6-15)25-20-10-9-17(12-19(20)23(26)28)24-22(27)16-7-8-16/h2-4,9-12,15-16H,5-8,13H2,1H3,(H,24,27)
InChIKeyNWJDOBVZAGLALJ-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.68
Rot. Bonds6

About N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide

N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide (PubChem CID 1456638) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
PubChem CID1456638
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
SMILESCOc1cccc(Cn2c(C3CC3)nc3ccc(NC(=O)C4CC4)cc3c2=O)c1
InChIInChI=1S/C23H23N3O3/c1-29-18-4-2-3-14(11-18)13-26-21(15-5-6-15)25-20-10-9-17(12-19(20)23(26)28)24-22(27)16-7-8-16/h2-4,9-12,15-16H,5-8,13H2,1H3,(H,24,27)
InChIKeyNWJDOBVZAGLALJ-UHFFFAOYSA-N
XLogP3.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]-2-phenylacetamide
CID 1456550
N-[2-cyclopropyl-3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 1456557
N-(3-benzyl-2-cyclopropyl-4-oxoquinazolin-6-yl)pyridine-4-carboxamide
CID 1456521
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456528
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
N-[4-[2-(3-methoxyphenyl)ethylamino]phenyl]cyclopropanecarboxamide
CID 112983563
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-benzyl-4-[[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]cyclohexane-1-carboxamide
CID 5323148
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
3-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 68724550
N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921809

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide (CID 1456638) is N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide is COc1cccc(Cn2c(C3CC3)nc3ccc(NC(=O)C4CC4)cc3c2=O)c1.
What is the InChIKey of N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
The InChIKey is NWJDOBVZAGLALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-29-18-4-2-3-14(11-18)13-26-21(15-5-6-15)25-20-10-9-17(12-19(20)23(26)28)24-22(27)16-7-8-16/h2-4,9-12,15-16H,5-8,13H2,1H3,(H,24,27).
What are the key properties of N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide?
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1456638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).