N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide

C27H25ClN4O2 — CID 177461135

IUPACN-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OCc1ccccc1Cl)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C27H25ClN4O2/c28-22-9-3-1-7-20(22)17-34-25-12-6-5-11-24(25)31-27(33)19-13-15-32(16-14-19)26-21-8-2-4-10-23(21)29-18-30-26/h1-12,18-19H,13-17H2,(H,31,33)
InChIKeyDEIDOBVCENEZBP-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.72
Rot. Bonds6

About N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide

N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide (PubChem CID 177461135) has the molecular formula C27H25ClN4O2 and a molecular weight of 472.98 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
PubChem CID177461135
Molecular FormulaC27H25ClN4O2
Molecular Weight472.98 g/mol
Exact Mass472.17
IUPAC NameN-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1OCc1ccccc1Cl)C1CCN(c2ncnc3ccccc23)CC1
InChIInChI=1S/C27H25ClN4O2/c28-22-9-3-1-7-20(22)17-34-25-12-6-5-11-24(25)31-27(33)19-13-15-32(16-14-19)26-21-8-2-4-10-23(21)29-18-30-26/h1-12,18-19H,13-17H2,(H,31,33)
InChIKeyDEIDOBVCENEZBP-UHFFFAOYSA-N
XLogP5.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-bromoquinazolin-4-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 87021026
N-(1-hydroxybutan-2-yl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110436378
N-(2-hydroxyethyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 47807499
N-(3-methylphenyl)-1-quinazolin-4-ylpiperidine-4-carboxamide
CID 110437338
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
N-(cyclopropylmethyl)-1-quinazolin-4-ylpiperidin-4-amine
CID 115307565
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 24525425
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4-quinazolin-4-ylpiperazin-1-yl)acetamide
CID 25030791
N-[(2-chlorophenyl)methyl]-1-(8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-yl)piperidine-4-carboxamide
CID 27372557
N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide
CID 50840883
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide (CID 177461135) is N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccccc1OCc1ccccc1Cl)C1CCN(c2ncnc3ccccc23)CC1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide?
The InChIKey is DEIDOBVCENEZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O2/c28-22-9-3-1-7-20(22)17-34-25-12-6-5-11-24(25)31-27(33)19-13-15-32(16-14-19)26-21-8-2-4-10-23(21)29-18-30-26/h1-12,18-19H,13-17H2,(H,31,33).
What are the key properties of N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide?
N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide has a molecular weight of 472.98 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methoxy]phenyl]-1-quinazolin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 177461135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).