N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide

C25H25N7O3 — CID 167060298

IUPACN-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4[nH]c(=O)[nH]c4c3)nc3ccc(O)cc23)n1C
InChIInChI=1S/C25H25N7O3/c1-5-20-26-11-15(32(20)4)12-31(3)24(34)22-17-10-16(33)6-7-18(17)27-23(29-22)14-8-13(2)21-19(9-14)28-25(35)30-21/h6-11,33H,5,12H2,1-4H3,(H2,28,30,35)
InChIKeyUZAAQYVOWAMBPA-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.05
Rot. Bonds5

About N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide

N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide (PubChem CID 167060298) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide
PubChem CID167060298
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC NameN-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide
SMILESCCc1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4[nH]c(=O)[nH]c4c3)nc3ccc(O)cc23)n1C
InChIInChI=1S/C25H25N7O3/c1-5-20-26-11-15(32(20)4)12-31(3)24(34)22-17-10-16(33)6-7-18(17)27-23(29-22)14-8-13(2)21-19(9-14)28-25(35)30-21/h6-11,33H,5,12H2,1-4H3,(H2,28,30,35)
InChIKeyUZAAQYVOWAMBPA-UHFFFAOYSA-N
XLogP3.05
TPSA132.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-amino-4-methyl-1H-indazol-6-yl)-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methylquinazoline-4-carboxamide
CID 167060153
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-2-[3-hydroxy-5-[2-(methylamino)ethylamino]phenyl]-N-methylquinazoline-4-carboxamide
CID 167060347
2-[6-[2-(dimethylamino)ethylamino]-2-methyl-3-pyridinyl]-N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-N,6-dimethylquinazoline-4-carboxamide
CID 164767296
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[5-(hydroxymethyl)-2-methylphenyl]-N-methylquinazoline-4-carboxamide
CID 167060184
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(3-methylimidazol-4-yl)quinazoline-4-carboxamide
CID 167060468
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
CID 164767370
tert-butyl N-[3-[4-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylcarbamoyl]-6-hydroxyquinazolin-2-yl]-2-methylphenoxy]propyl]-N-methylcarbamate
CID 167060495
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[3-methoxy-4-(piperazin-1-ylmethyl)phenyl]-N-methylquinazoline-4-carboxamide
CID 167060206
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-6-hydroxy-2-[3-methoxy-4-(oxan-4-ylamino)phenyl]-N-methylquinazoline-4-carboxamide
CID 167060232
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-2-[6-fluoro-5-[2-(methylamino)ethylamino]-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
CID 164767239
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-(5-methyl-1,2,3,4-tetrahydroquinolin-7-yl)quinazoline-4-carboxamide
CID 165041803
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,6-dimethyl-2-[3-methyl-4-(oxan-4-ylamino)phenyl]quinazoline-4-carboxamide
CID 164766908

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide?
The IUPAC name of N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide (CID 167060298) is N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide is CCc1ncc(CN(C)C(=O)c2nc(-c3cc(C)c4[nH]c(=O)[nH]c4c3)nc3ccc(O)cc23)n1C.
What is the InChIKey of N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide?
The InChIKey is UZAAQYVOWAMBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-5-20-26-11-15(32(20)4)12-31(3)24(34)22-17-10-16(33)6-7-18(17)27-23(29-22)14-8-13(2)21-19(9-14)28-25(35)30-21/h6-11,33H,5,12H2,1-4H3,(H2,28,30,35).
What are the key properties of N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide?
N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3-methylimidazol-4-yl)methyl]-6-hydroxy-N-methyl-2-(7-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)quinazoline-4-carboxamide is sourced from PubChem (CID 167060298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).