N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide

C18H18N4O — CID 110702828

IUPACN,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide
SMILESCc1nc(C(=O)N(C)CCc2ccncc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-13-20-16-6-4-3-5-15(16)17(21-13)18(23)22(2)12-9-14-7-10-19-11-8-14/h3-8,10-11H,9,12H2,1-2H3
InChIKeyRIGSDXRDKGRZJL-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.65
Rot. Bonds4

About N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide

N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide (PubChem CID 110702828) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide
PubChem CID110702828
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide
SMILESCc1nc(C(=O)N(C)CCc2ccncc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O/c1-13-20-16-6-4-3-5-15(16)17(21-13)18(23)22(2)12-9-14-7-10-19-11-8-14/h3-8,10-11H,9,12H2,1-2H3
InChIKeyRIGSDXRDKGRZJL-UHFFFAOYSA-N
XLogP2.65
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)cinnoline-3-carboxamide
CID 110705070
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)indole-2-carboxamide
CID 113204375
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
N,2,4-trimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 110852637
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
2-[[methyl(2-pyridin-4-ylethyl)carbamoyl]amino]acetic acid
CID 60914415
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
N,1,2-trimethyl-N-(2-pyridin-4-ylethyl)benzimidazole-5-carboxamide
CID 110765803
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide (CID 110702828) is N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide is Cc1nc(C(=O)N(C)CCc2ccncc2)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide?
The InChIKey is RIGSDXRDKGRZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-20-16-6-4-3-5-15(16)17(21-13)18(23)22(2)12-9-14-7-10-19-11-8-14/h3-8,10-11H,9,12H2,1-2H3.
What are the key properties of N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide?
N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(2-pyridin-4-ylethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 110702828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).