3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide

C25H22N4O3 — CID 135876422

IUPAC3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C25H22N4O3/c1-29(14-22-26-20-9-5-4-8-18(20)24(31)28-22)25(32)19-12-16-6-2-3-7-17(16)13-21(19)27-23(30)15-10-11-15/h2-9,12-13,15H,10-11,14H2,1H3,(H,27,30)(H,26,28,31)
InChIKeyHSFFKGSEWPFXKG-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.70
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide

3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide (PubChem CID 135876422) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
PubChem CID135876422
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
SMILESCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C25H22N4O3/c1-29(14-22-26-20-9-5-4-8-18(20)24(31)28-22)25(32)19-12-16-6-2-3-7-17(16)13-21(19)27-23(30)15-10-11-15/h2-9,12-13,15H,10-11,14H2,1H3,(H,27,30)(H,26,28,31)
InChIKeyHSFFKGSEWPFXKG-UHFFFAOYSA-N
XLogP3.70
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 39948097
5-acetamido-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]thiophene-2-carboxamide
CID 135886880
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
CID 135971119
4-chloro-N-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135893643
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135718625
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
3-(cyclopropanecarbonylamino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 24638837

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide (CID 135876422) is 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide is CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide?
The InChIKey is HSFFKGSEWPFXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-29(14-22-26-20-9-5-4-8-18(20)24(31)28-22)25(32)19-12-16-6-2-3-7-17(16)13-21(19)27-23(30)15-10-11-15/h2-9,12-13,15H,10-11,14H2,1H3,(H,27,30)(H,26,28,31).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide?
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 135876422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).