N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

C19H18ClN5 — CID 46063256

IUPACN-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCC(C)c1nnc2c3ccc(Cl)cc3nc(NCc3ccccc3)n12
InChIInChI=1S/C19H18ClN5/c1-12(2)17-23-24-18-15-9-8-14(20)10-16(15)22-19(25(17)18)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyRWETYKQRSUNERB-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.67
Rot. Bonds4

About N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine

N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (PubChem CID 46063256) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.

Molecular Properties

Compound NameN-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
PubChem CID46063256
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC NameN-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
SMILESCC(C)c1nnc2c3ccc(Cl)cc3nc(NCc3ccccc3)n12
InChIInChI=1S/C19H18ClN5/c1-12(2)17-23-24-18-15-9-8-14(20)10-16(15)22-19(25(17)18)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyRWETYKQRSUNERB-UHFFFAOYSA-N
XLogP4.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine with MolForge

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Related Compounds

N-benzyl-8-chloro-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 46063280
N-benzyl-3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine
CID 42864660
N-[(4-chlorophenyl)methyl]-10-methylbenzimidazolo[1,2-c]quinazolin-6-amine
CID 24740909
2-(1-amino-2-methylpropyl)-3-benzyl-7-chloroquinazolin-4-one
CID 22238798
3-benzyl-2-[(4-chlorophenyl)methylamino]-N-hydroxy-4-oxoquinazoline-7-carboxamide
CID 87337371
5-(4-benzylpiperidin-1-yl)-8-chloro-3-methyl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063233
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
3-benzyl-8-chloro-5-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-c]quinazoline
CID 46063214
4-benzylsulfanyl-7-chloro-N-methylquinolin-2-amine
CID 170733626
3-benzyl-7-chloro-2-[1-(2-methylpropylamino)propyl]quinazolin-4-one
CID 20785808
N-benzyl-4-(benzylamino)-7-chloroquinoline-2-carboxamide
CID 1047229
N-benzyl-2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2431044

Frequently Asked Questions

What is the IUPAC name of N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The IUPAC name of N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine (CID 46063256) is N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine.
What is the SMILES notation for N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The canonical SMILES for N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is CC(C)c1nnc2c3ccc(Cl)cc3nc(NCc3ccccc3)n12.
What is the InChIKey of N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
The InChIKey is RWETYKQRSUNERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c1-12(2)17-23-24-18-15-9-8-14(20)10-16(15)22-19(25(17)18)21-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine?
N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine has a molecular weight of 351.84 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-amine is sourced from PubChem (CID 46063256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).