N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide

C29H33N3O2 — CID 42717035

IUPACN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CCC(C)C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C29H33N3O2/c1-5-26(27-30-25-17-10-9-15-24(25)29(34)31(27)6-2)32(19-18-20(3)4)28(33)23-16-11-13-21-12-7-8-14-22(21)23/h7-17,20,26H,5-6,18-19H2,1-4H3
InChIKeyHVBGUIOGSWSYTD-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.21
Rot. Bonds8

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

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide (PubChem CID 42717035) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
PubChem CID42717035
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC NameN-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CCC(C)C)C(=O)c1cccc2ccccc12
InChIInChI=1S/C29H33N3O2/c1-5-26(27-30-25-17-10-9-15-24(25)29(34)31(27)6-2)32(19-18-20(3)4)28(33)23-16-11-13-21-12-7-8-14-22(21)23/h7-17,20,26H,5-6,18-19H2,1-4H3
InChIKeyHVBGUIOGSWSYTD-UHFFFAOYSA-N
XLogP6.21
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)propanamide
CID 42717022
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
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 42717672
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-4-fluoro-N-propylbenzamide
CID 42712056
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 42712013
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 42717668
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-propylhexanamide
CID 42712059
N-butyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]hexanamide
CID 42712034
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]thiophene-2-carboxamide
CID 42711162
2-chloro-N-(3-methylbutyl)-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 5125474

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide?
The IUPAC name of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide (CID 42717035) is N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide is CCC(c1nc2ccccc2c(=O)n1CC)N(CCC(C)C)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide?
The InChIKey is HVBGUIOGSWSYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-5-26(27-30-25-17-10-9-15-24(25)29(34)31(27)6-2)32(19-18-20(3)4)28(33)23-16-11-13-21-12-7-8-14-22(21)23/h7-17,20,26H,5-6,18-19H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide?
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-(3-methylbutyl)naphthalene-1-carboxamide is sourced from PubChem (CID 42717035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).