2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide

C25H30N4O5 — CID 74587709

IUPAC2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
SMILESCOc1cc2ncn(CC(=O)NC(C(=O)NCCc3ccccc3)C(C)C)c(=O)c2cc1OC
InChIInChI=1S/C25H30N4O5/c1-16(2)23(24(31)26-11-10-17-8-6-5-7-9-17)28-22(30)14-29-15-27-19-13-21(34-4)20(33-3)12-18(19)25(29)32/h5-9,12-13,15-16,23H,10-11,14H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyUQCFSAHFZOYLNO-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.91
Rot. Bonds10

About 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide

2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide (PubChem CID 74587709) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
PubChem CID74587709
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Name2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide
SMILESCOc1cc2ncn(CC(=O)NC(C(=O)NCCc3ccccc3)C(C)C)c(=O)c2cc1OC
InChIInChI=1S/C25H30N4O5/c1-16(2)23(24(31)26-11-10-17-8-6-5-7-9-17)28-22(30)14-29-15-27-19-13-21(34-4)20(33-3)12-18(19)25(29)32/h5-9,12-13,15-16,23H,10-11,14H2,1-4H3,(H,26,31)(H,28,30)
InChIKeyUQCFSAHFZOYLNO-UHFFFAOYSA-N
XLogP1.91
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide with MolForge

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Related Compounds

(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-hydroxyethyl)-3-methylbutanamide
CID 29147907
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 74836650
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-[(2R)-6-methylheptan-2-yl]butanamide
CID 29147451
(2S,3S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(3-propan-2-yloxypropyl)pentanamide
CID 29147706
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
CID 91638290
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(6-methylheptan-2-yl)pentanamide
CID 42648929
3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 39378134
(2R)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 96565054
(2S)-2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 39377619
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)butanamide
CID 46657700
N-[2-(4-tert-butylphenyl)ethyl]-4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)butanamide
CID 46442118
4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N'-(2-phenylacetyl)butanehydrazide
CID 46520770

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide (CID 74587709) is 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide is COc1cc2ncn(CC(=O)NC(C(=O)NCCc3ccccc3)C(C)C)c(=O)c2cc1OC.
What is the InChIKey of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide?
The InChIKey is UQCFSAHFZOYLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-16(2)23(24(31)26-11-10-17-8-6-5-7-9-17)28-22(30)14-29-15-27-19-13-21(34-4)20(33-3)12-18(19)25(29)32/h5-9,12-13,15-16,23H,10-11,14H2,1-4H3,(H,26,31)(H,28,30).
What are the key properties of 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide?
2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide has a molecular weight of 466.54 g/mol, XLogP of 1.91, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)acetyl]amino]-3-methyl-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 74587709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).