3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one

C24H18N6O2 — CID 175738265

IUPAC3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
SMILESO=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(OC4CC4)cc3)nn12
InChIInChI=1S/C24H18N6O2/c31-23-20(7-3-4-14-25-23)27-24-26-19-6-2-1-5-18(19)22-28-21(29-30(22)24)15-8-10-16(11-9-15)32-17-12-13-17/h1-11,14,17H,12-13H2,(H,25,26,27,31)
InChIKeyVDIDHNDPKTXSKF-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.98
Rot. Bonds5

About 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one

3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one (PubChem CID 175738265) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one.

Molecular Properties

Compound Name3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
PubChem CID175738265
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
SMILESO=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(OC4CC4)cc3)nn12
InChIInChI=1S/C24H18N6O2/c31-23-20(7-3-4-14-25-23)27-24-26-19-6-2-1-5-18(19)22-28-21(29-30(22)24)15-8-10-16(11-9-15)32-17-12-13-17/h1-11,14,17H,12-13H2,(H,25,26,27,31)
InChIKeyVDIDHNDPKTXSKF-UHFFFAOYSA-N
XLogP3.98
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one with MolForge

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Related Compounds

3-[[8,9-dimethoxy-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738375
3-[[2-[1-(oxan-4-yl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738540
3-[[7-chloro-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738461
3-[[2-(4-methoxyphenyl)-10-(oxan-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738276
3-[[2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738513
3-[[9-fluoro-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738519
3-[[2-[5-chloro-2-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738285
3-[[7-cyclopropyl-2-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one
CID 175738403
N-cycloheptyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880484
N-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 20880342
N-(furan-2-ylmethyl)-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 16584672
N-[2-(3-ethoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-N'-fluoro-N'-methylmethanediamine
CID 156637211

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one?
The IUPAC name of 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one (CID 175738265) is 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one.
What is the SMILES notation for 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one?
The canonical SMILES for 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one is O=c1nccccc1Nc1nc2ccccc2c2nc(-c3ccc(OC4CC4)cc3)nn12.
What is the InChIKey of 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one?
The InChIKey is VDIDHNDPKTXSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-23-20(7-3-4-14-25-23)27-24-26-19-6-2-1-5-18(19)22-28-21(29-30(22)24)15-8-10-16(11-9-15)32-17-12-13-17/h1-11,14,17H,12-13H2,(H,25,26,27,31).
What are the key properties of 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one?
3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one has a molecular weight of 422.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-cyclopropyloxyphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]azepin-2-one is sourced from PubChem (CID 175738265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).