2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide

C21H25N5O — CID 59483544

IUPAC2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
SMILESCc1ccc2nc(N)nc(C(=O)N(CCN(C)C)Cc3ccccc3)c2c1
InChIInChI=1S/C21H25N5O/c1-15-9-10-18-17(13-15)19(24-21(22)23-18)20(27)26(12-11-25(2)3)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,22,23,24)
InChIKeyDPOJRPZSGNQCDJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.72
Rot. Bonds6

About 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide

2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide (PubChem CID 59483544) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
PubChem CID59483544
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
SMILESCc1ccc2nc(N)nc(C(=O)N(CCN(C)C)Cc3ccccc3)c2c1
InChIInChI=1S/C21H25N5O/c1-15-9-10-18-17(13-15)19(24-21(22)23-18)20(27)26(12-11-25(2)3)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,22,23,24)
InChIKeyDPOJRPZSGNQCDJ-UHFFFAOYSA-N
XLogP2.72
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,N-diethyl-6-methylquinazoline-4-carboxamide
CID 25160377
2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 59483477
N-benzyl-N-[2-(dimethylamino)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 78811482
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-benzyl-N-[2-(dimethylamino)ethyl]-5-methyl-2-propan-2-yl-1,3-oxazole-4-carboxamide
CID 53195201
2-amino-N-ethyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 143745283
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 46273787
4-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63101974
N-benzyl-N-(2-hydroxyethyl)-2,7-dimethylquinoline-3-carboxamide
CID 78865370
2-amino-N,N-dimethylquinazoline-4-carboxamide
CID 25159575
2-amino-N,6-dimethyl-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]quinazoline-4-carboxamide
CID 143745298
N-benzyl-N-(2-fluoroethyl)-3-methylbenzamide
CID 11500020

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide (CID 59483544) is 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide is Cc1ccc2nc(N)nc(C(=O)N(CCN(C)C)Cc3ccccc3)c2c1.
What is the InChIKey of 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide?
The InChIKey is DPOJRPZSGNQCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-9-10-18-17(13-15)19(24-21(22)23-18)20(27)26(12-11-25(2)3)14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H2,22,23,24).
What are the key properties of 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide?
2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide is sourced from PubChem (CID 59483544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).