N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

C18H14Cl2N4 — CID 172862616

IUPACN-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2n1
InChIInChI=1S/C18H14Cl2N4/c1-11-8-17-22-18(13-4-2-3-5-16(13)24(17)23-11)21-10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyZOELNJNYBJWRGF-UHFFFAOYSA-N
MW357.24 g/mol
LogP5.11
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine

N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (PubChem CID 172862616) has the molecular formula C18H14Cl2N4 and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
PubChem CID172862616
Molecular FormulaC18H14Cl2N4
Molecular Weight357.24 g/mol
Exact Mass356.06
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
SMILESCc1cc2nc(NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2n1
InChIInChI=1S/C18H14Cl2N4/c1-11-8-17-22-18(13-4-2-3-5-16(13)24(17)23-11)21-10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,21,22)
InChIKeyZOELNJNYBJWRGF-UHFFFAOYSA-N
XLogP5.11
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine (CID 172862616) is N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is Cc1cc2nc(NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
The InChIKey is ZOELNJNYBJWRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4/c1-11-8-17-22-18(13-4-2-3-5-16(13)24(17)23-11)21-10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,21,22).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine?
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine has a molecular weight of 357.24 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 172862616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).