6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol

C14H12ClN3O — CID 174890285

IUPAC6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol
SMILESNC1C(Cl)=C(c2ncnc3ccccc23)C=CC1O
InChIInChI=1S/C14H12ClN3O/c15-12-9(5-6-11(19)13(12)16)14-8-3-1-2-4-10(8)17-7-18-14/h1-7,11,13,19H,16H2
InChIKeyMMNUDPVANYYMEK-UHFFFAOYSA-N
MW273.72 g/mol
LogP1.84
Rot. Bonds1

About 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol

6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol (PubChem CID 174890285) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol
PubChem CID174890285
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol
SMILESNC1C(Cl)=C(c2ncnc3ccccc23)C=CC1O
InChIInChI=1S/C14H12ClN3O/c15-12-9(5-6-11(19)13(12)16)14-8-3-1-2-4-10(8)17-7-18-14/h1-7,11,13,19H,16H2
InChIKeyMMNUDPVANYYMEK-UHFFFAOYSA-N
XLogP1.84
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-quinazolin-4-ylaniline
CID 175277016
ethane;methanol;4-methylquinazoline
CID 91108480
benzene;4-methylquinazoline
CID 174274782
fluoromethane;4-methylquinazoline
CID 91079443
4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinazoline
CID 164799829
hydron;quinazolin-4-amine
CID 174478214
azane;quinazolin-4-amine
CID 172800040
4-naphthalen-2-ylquinazoline
CID 58881337
4-chloroquinoline;ethane
CID 91461667
N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
CID 23934303
N-propan-2-yl-4-quinazolin-4-ylaniline
CID 141220495
bis(4-(5-methylpyrazol-2-id-3-yl)quinazoline);platinum(2+)
CID 140723078

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol (CID 174890285) is 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol is NC1C(Cl)=C(c2ncnc3ccccc23)C=CC1O.
What is the InChIKey of 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol?
The InChIKey is MMNUDPVANYYMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-12-9(5-6-11(19)13(12)16)14-8-3-1-2-4-10(8)17-7-18-14/h1-7,11,13,19H,16H2.
What are the key properties of 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol?
6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol has a molecular weight of 273.72 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-4-quinazolin-4-ylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174890285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).