4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide

C25H29N3O2 — CID 40876453

IUPAC4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cnc12
InChIInChI=1S/C25H29N3O2/c1-17-7-5-10-22-24(17)26-16-28(25(22)30)14-6-11-23(29)27-18(2)20-13-12-19-8-3-4-9-21(19)15-20/h5,7,10,12-13,15-16,18H,3-4,6,8-9,11,14H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeySOKFUTFLBPCSNS-SFHVURJKSA-N
MW403.53 g/mol
LogP4.24
Rot. Bonds6

About 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide

4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide (PubChem CID 40876453) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
PubChem CID40876453
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
SMILESCc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cnc12
InChIInChI=1S/C25H29N3O2/c1-17-7-5-10-22-24(17)26-16-28(25(22)30)14-6-11-23(29)27-18(2)20-13-12-19-8-3-4-9-21(19)15-20/h5,7,10,12-13,15-16,18H,3-4,6,8-9,11,14H2,1-2H3,(H,27,29)/t18-/m0/s1
InChIKeySOKFUTFLBPCSNS-SFHVURJKSA-N
XLogP4.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide with MolForge

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 51272559
diethyl 2-[4-(8-methyl-4-oxoquinazolin-3-yl)butanoylamino]propanedioate
CID 33254183
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 27016148
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 46821406
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 41290798
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
4-(8-methyl-4-oxoquinazolin-3-yl)butanoate
CID 9167242
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
7-(1,3-dioxoisoindol-2-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]heptanamide
CID 40786470
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 9396548
4-phenoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 127115534
N-(1-acetylpiperidin-4-yl)-4-(8-methyl-4-oxoquinazolin-3-yl)butanamide
CID 47015246

Frequently Asked Questions

What is the IUPAC name of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
The IUPAC name of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide (CID 40876453) is 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide.
What is the SMILES notation for 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
The canonical SMILES for 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide is Cc1cccc2c(=O)n(CCCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cnc12.
What is the InChIKey of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
The InChIKey is SOKFUTFLBPCSNS-SFHVURJKSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-7-5-10-22-24(17)26-16-28(25(22)30)14-6-11-23(29)27-18(2)20-13-12-19-8-3-4-9-21(19)15-20/h5,7,10,12-13,15-16,18H,3-4,6,8-9,11,14H2,1-2H3,(H,27,29)/t18-/m0/s1.
What are the key properties of 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide?
4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide has a molecular weight of 403.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide is sourced from PubChem (CID 40876453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).