N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C23H25N3O2 — CID 137296684

IUPACN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H25N3O2/c1-15(2)26(14-21-24-20-10-6-5-9-19(20)22(27)25-21)23(28)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,24,25,27)
InChIKeyZXXCKCNFNVVCND-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.85
Rot. Bonds4

About N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 137296684) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID137296684
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H25N3O2/c1-15(2)26(14-21-24-20-10-6-5-9-19(20)22(27)25-21)23(28)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,24,25,27)
InChIKeyZXXCKCNFNVVCND-UHFFFAOYSA-N
XLogP3.85
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Related Compounds

3-fluoro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135722195
4-tert-butyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962244
4-(methoxymethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137294556
3-(difluoromethoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 135962295
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylfuran-3-carboxamide
CID 137316111
4-(carbamoylamino)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbenzamide
CID 137287776
3-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-pyrrolidin-1-ylbenzamide
CID 135962139
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-propan-2-yloxypyridine-3-carboxamide
CID 135973705
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(pyrazol-1-ylmethyl)benzamide
CID 137309163
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137305204
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 135956689
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185

Frequently Asked Questions

What is the IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 137296684) is N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZXXCKCNFNVVCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)26(14-21-24-20-10-6-5-9-19(20)22(27)25-21)23(28)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3,(H,24,25,27).
What are the key properties of N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 137296684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).