N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide

C33H34N4O2 — CID 42721445

IUPACN-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCCc1ccccc1-n1c(C(C)N(CCN(C)C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C33H34N4O2/c1-5-24-13-7-11-20-30(24)37-31(34-29-19-10-9-17-28(29)33(37)39)23(2)36(22-21-35(3)4)32(38)27-18-12-15-25-14-6-8-16-26(25)27/h6-20,23H,5,21-22H2,1-4H3
InChIKeyOHEYLHRQESLBKL-UHFFFAOYSA-N
MW518.66 g/mol
LogP5.87
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide

N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide (PubChem CID 42721445) has the molecular formula C33H34N4O2 and a molecular weight of 518.66 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
PubChem CID42721445
Molecular FormulaC33H34N4O2
Molecular Weight518.66 g/mol
Exact Mass518.27
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide
SMILESCCc1ccccc1-n1c(C(C)N(CCN(C)C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O
InChIInChI=1S/C33H34N4O2/c1-5-24-13-7-11-20-30(24)37-31(34-29-19-10-9-17-28(29)33(37)39)23(2)36(22-21-35(3)4)32(38)27-18-12-15-25-14-6-8-16-26(25)27/h6-20,23H,5,21-22H2,1-4H3
InChIKeyOHEYLHRQESLBKL-UHFFFAOYSA-N
XLogP5.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]pentanamide
CID 42721442
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721329
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)naphthalene-1-carboxamide
CID 3973669
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
CID 42721554
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
N-ethyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methylbenzamide
CID 42722015
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]naphthalene-1-carboxamide
CID 3505140
4-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbenzamide
CID 42721424
3-bromo-N-[2-(dimethylamino)ethyl]-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 42721379
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide (CID 42721445) is N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide is CCc1ccccc1-n1c(C(C)N(CCN(C)C)C(=O)c2cccc3ccccc23)nc2ccccc2c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
The InChIKey is OHEYLHRQESLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O2/c1-5-24-13-7-11-20-30(24)37-31(34-29-19-10-9-17-28(29)33(37)39)23(2)36(22-21-35(3)4)32(38)27-18-12-15-25-14-6-8-16-26(25)27/h6-20,23H,5,21-22H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide has a molecular weight of 518.66 g/mol, XLogP of 5.87, 8 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-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 42721445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).