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

C29H34N4O2 — CID 3505140

IUPACN-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide
SMILESCCCn1c(C(CC)N(CCN(C)C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C29H34N4O2/c1-5-18-33-27(30-25-17-10-9-15-24(25)29(33)35)26(6-2)32(20-19-31(3)4)28(34)23-16-11-13-21-12-7-8-14-22(21)23/h7-17,26H,5-6,18-20H2,1-4H3
InChIKeyRXKMZWSCMHTMMR-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.11
Rot. Bonds9

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

N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide (PubChem CID 3505140) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide
PubChem CID3505140
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide
SMILESCCCn1c(C(CC)N(CCN(C)C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C29H34N4O2/c1-5-18-33-27(30-25-17-10-9-15-24(25)29(33)35)26(6-2)32(20-19-31(3)4)28(34)23-16-11-13-21-12-7-8-14-22(21)23/h7-17,26H,5-6,18-20H2,1-4H3
InChIKeyRXKMZWSCMHTMMR-UHFFFAOYSA-N
XLogP5.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
CID 42717035
N-methyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42713696
1-[2-(dimethylamino)ethyl]-3-(4-methylsulfanylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42715518
N-[2-(dimethylamino)ethyl]-2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42657555
1-[2-(dimethylamino)ethyl]-3-(4-nitrophenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42715511
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]pentanamide
CID 42713712
2,4-dichloro-N-[2-(dimethylamino)ethyl]-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42714610
N-butyl-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]hexanamide
CID 42713720
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
CID 42721445
N-butyl-2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]benzamide
CID 42711871
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
2-chloro-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-pentylbenzamide
CID 42717679

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide (CID 3505140) is N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide is CCCn1c(C(CC)N(CCN(C)C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide?
The InChIKey is RXKMZWSCMHTMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-5-18-33-27(30-25-17-10-9-15-24(25)29(33)35)26(6-2)32(20-19-31(3)4)28(34)23-16-11-13-21-12-7-8-14-22(21)23/h7-17,26H,5-6,18-20H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 5.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide is sourced from PubChem (CID 3505140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).