1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol

C19H17Cl2N3O — CID 134211393

IUPAC1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1
InChIInChI=1S/C19H17Cl2N3O/c20-15-7-6-12(9-16(15)21)14-4-1-5-17-18(14)19(23-11-22-17)24-8-2-3-13(25)10-24/h1,4-7,9,11,13,25H,2-3,8,10H2
InChIKeyNGNYESNFLUTGCM-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.56
Rot. Bonds2

About 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol

1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol (PubChem CID 134211393) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
PubChem CID134211393
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol
SMILESOC1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1
InChIInChI=1S/C19H17Cl2N3O/c20-15-7-6-12(9-16(15)21)14-4-1-5-17-18(14)19(23-11-22-17)24-8-2-3-13(25)10-24/h1,4-7,9,11,13,25H,2-3,8,10H2
InChIKeyNGNYESNFLUTGCM-UHFFFAOYSA-N
XLogP4.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carboxamide
CID 134210536
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidine-3-carbonitrile
CID 134210287
(Z)-2-[1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-yl]-2-hydrazinylethenamine
CID 142278475
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]-N-methylsulfanylpiperidine-3-carboxamide
CID 134220274
4-(8-azabicyclo[3.2.1]octan-8-yl)-5-(3,4-dichlorophenyl)quinazoline
CID 134220178
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220226
(3R)-1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220358
(3S)-1-[5-(4-chlorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220216
1-[5-(3-chlorophenyl)quinazolin-4-yl]piperidine-3-carbaldehyde
CID 142278628
1-(5-naphthalen-2-ylquinazolin-4-yl)piperidine-3-carboxylic acid
CID 134210616
1-[5-(3,4-dichlorophenyl)-7-methylquinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220246
1-[5-(3-fluorophenyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 134220206

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol (CID 134211393) is 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol is OC1CCCN(c2ncnc3cccc(-c4ccc(Cl)c(Cl)c4)c23)C1.
What is the InChIKey of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol?
The InChIKey is NGNYESNFLUTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-15-7-6-12(9-16(15)21)14-4-1-5-17-18(14)19(23-11-22-17)24-8-2-3-13(25)10-24/h1,4-7,9,11,13,25H,2-3,8,10H2.
What are the key properties of 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol?
1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol has a molecular weight of 374.27 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dichlorophenyl)quinazolin-4-yl]piperidin-3-ol is sourced from PubChem (CID 134211393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).