1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

C21H21BrN4O2 — CID 87021026

IUPAC1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C21H21BrN4O2/c1-28-19-5-3-2-4-18(19)25-21(27)14-8-10-26(11-9-14)20-16-12-15(22)6-7-17(16)23-13-24-20/h2-7,12-14H,8-11H2,1H3,(H,25,27)
InChIKeyGQWZMLCAJNPUSQ-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.26
Rot. Bonds4

About 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide

1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 87021026) has the molecular formula C21H21BrN4O2 and a molecular weight of 441.33 g/mol. Its IUPAC name is 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
PubChem CID87021026
Molecular FormulaC21H21BrN4O2
Molecular Weight441.33 g/mol
Exact Mass440.08
IUPAC Name1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)C1CCN(c2ncnc3ccc(Br)cc23)CC1
InChIInChI=1S/C21H21BrN4O2/c1-28-19-5-3-2-4-18(19)25-21(27)14-8-10-26(11-9-14)20-16-12-15(22)6-7-17(16)23-13-24-20/h2-7,12-14H,8-11H2,1H3,(H,25,27)
InChIKeyGQWZMLCAJNPUSQ-UHFFFAOYSA-N
XLogP4.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromoquinazolin-4-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87021145
N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 177461135
methyl 2-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-2-hydroxyacetate
CID 133398939
N-(2-methoxyphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384770
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
1-[1-(6-bromoquinazolin-4-yl)piperidin-4-yl]-3-phenylurea
CID 86946136
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 90609784
1-(6-methoxyquinazolin-4-yl)piperidine-4-carboxamide
CID 21002803
1-(6,7-dimethoxyquinazolin-4-yl)-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 58770571

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide (CID 87021026) is 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is COc1ccccc1NC(=O)C1CCN(c2ncnc3ccc(Br)cc23)CC1.
What is the InChIKey of 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is GQWZMLCAJNPUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN4O2/c1-28-19-5-3-2-4-18(19)25-21(27)14-8-10-26(11-9-14)20-16-12-15(22)6-7-17(16)23-13-24-20/h2-7,12-14H,8-11H2,1H3,(H,25,27).
What are the key properties of 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide?
1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 441.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 87021026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).