7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one

C20H18ClN5O — CID 134135730

IUPAC7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one
SMILESCn1c(NCCc2ccc(-n3cccn3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H18ClN5O/c1-25-19(27)17-8-5-15(21)13-18(17)24-20(25)22-11-9-14-3-6-16(7-4-14)26-12-2-10-23-26/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)
InChIKeyKBYDZNVJPIRQHL-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.43
Rot. Bonds5

About 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one

7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one (PubChem CID 134135730) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one
PubChem CID134135730
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC Name7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one
SMILESCn1c(NCCc2ccc(-n3cccn3)cc2)nc2cc(Cl)ccc2c1=O
InChIInChI=1S/C20H18ClN5O/c1-25-19(27)17-8-5-15(21)13-18(17)24-20(25)22-11-9-14-3-6-16(7-4-14)26-12-2-10-23-26/h2-8,10,12-13H,9,11H2,1H3,(H,22,24)
InChIKeyKBYDZNVJPIRQHL-UHFFFAOYSA-N
XLogP3.43
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-methyl-2-[2-(4-pyridin-2-yloxyphenyl)ethylamino]quinazolin-4-one
CID 134152254
7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one
CID 134135450
4-bromo-2-methyl-5-[2-(4-pyrazol-1-ylphenyl)ethylamino]pyridazin-3-one
CID 133303134
1-(3,4-dichlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]methanesulfonamide
CID 56581685
7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
CID 871628
methyl 3-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 139769291
5-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 30039075
1-(4-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 46337473
3,6-dichloro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyridine-2-carboxamide
CID 41413238
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 30102896
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 20941589

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one?
The IUPAC name of 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one (CID 134135730) is 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one is Cn1c(NCCc2ccc(-n3cccn3)cc2)nc2cc(Cl)ccc2c1=O.
What is the InChIKey of 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one?
The InChIKey is KBYDZNVJPIRQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c1-25-19(27)17-8-5-15(21)13-18(17)24-20(25)22-11-9-14-3-6-16(7-4-14)26-12-2-10-23-26/h2-8,10,12-13H,9,11H2,1H3,(H,22,24).
What are the key properties of 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one?
7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one has a molecular weight of 379.85 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]quinazolin-4-one is sourced from PubChem (CID 134135730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).