N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide

C25H25N3O2 — CID 42713696

IUPACN-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCCCn1c(C(C)N(C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H25N3O2/c1-4-16-28-23(26-22-15-8-7-13-21(22)25(28)30)17(2)27(3)24(29)20-14-9-11-18-10-5-6-12-19(18)20/h5-15,17H,4,16H2,1-3H3
InChIKeyRQHBYZMVRJRLPJ-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.79
Rot. Bonds5

About N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide

N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide (PubChem CID 42713696) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
PubChem CID42713696
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
SMILESCCCn1c(C(C)N(C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C25H25N3O2/c1-4-16-28-23(26-22-15-8-7-13-21(22)25(28)30)17(2)27(3)24(29)20-14-9-11-18-10-5-6-12-19(18)20/h5-15,17H,4,16H2,1-3H3
InChIKeyRQHBYZMVRJRLPJ-UHFFFAOYSA-N
XLogP4.79
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide
CID 3505140
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742
2-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-(2-phenylethyl)benzamide
CID 42713483
N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 42713243
4-chloro-N-ethyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]benzamide
CID 42713238
3-benzyl-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713300
2-fluoro-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715717
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
CID 42713839
N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-N-propylthiophene-2-carboxamide
CID 42713266
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
N-(6-aminohexyl)-N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 93105333

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide (CID 42713696) is N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide is CCCn1c(C(C)N(C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
The InChIKey is RQHBYZMVRJRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-4-16-28-23(26-22-15-8-7-13-21(22)25(28)30)17(2)27(3)24(29)20-14-9-11-18-10-5-6-12-19(18)20/h5-15,17H,4,16H2,1-3H3.
What are the key properties of N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide?
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42713696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).