2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide

C18H18N4O2 — CID 59483477

IUPAC2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)N(CCO)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O2/c19-18-20-15-9-5-4-8-14(15)16(21-18)17(24)22(10-11-23)12-13-6-2-1-3-7-13/h1-9,23H,10-12H2,(H2,19,20,21)
InChIKeyMZAKWHJBZGFJIR-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.85
Rot. Bonds5

About 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide

2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide (PubChem CID 59483477) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
PubChem CID59483477
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
SMILESNc1nc(C(=O)N(CCO)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H18N4O2/c19-18-20-15-9-5-4-8-14(15)16(21-18)17(24)22(10-11-23)12-13-6-2-1-3-7-13/h1-9,23H,10-12H2,(H2,19,20,21)
InChIKeyMZAKWHJBZGFJIR-UHFFFAOYSA-N
XLogP1.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide
CID 143745283
2-amino-N-benzyl-N-[2-(dimethylamino)ethyl]-6-methylquinazoline-4-carboxamide
CID 59483544
3-amino-N-benzyl-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 110886937
2-amino-N,N-dimethylquinazoline-4-carboxamide
CID 25159575
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
5-amino-N-benzyl-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 81317200
2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
CID 80773437
N-benzyl-7-chloro-N-(2-hydroxyethyl)quinoline-2-carboxamide
CID 111969900
N-benzyl-N-(2-hydroxyethyl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 78796020
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
4-(acetamidomethyl)-N-benzyl-N-(2-hydroxyethyl)benzamide
CID 110880403
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110900748

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide?
The IUPAC name of 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide (CID 59483477) is 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide is Nc1nc(C(=O)N(CCO)Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide?
The InChIKey is MZAKWHJBZGFJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c19-18-20-15-9-5-4-8-14(15)16(21-18)17(24)22(10-11-23)12-13-6-2-1-3-7-13/h1-9,23H,10-12H2,(H2,19,20,21).
What are the key properties of 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide?
2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-(2-hydroxyethyl)quinazoline-4-carboxamide is sourced from PubChem (CID 59483477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).