8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C20H20N6O — CID 45269647

IUPAC8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C20H20N6O/c1-26-18-15(17(25-26)19(27)22-14-8-9-14)10-7-12-11-21-20(24-16(12)18)23-13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,22,27)(H,21,23,24)
InChIKeyDXZFQTAPRSQZBA-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.61
Rot. Bonds4

About 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45269647) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45269647
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
InChIInChI=1S/C20H20N6O/c1-26-18-15(17(25-26)19(27)22-14-8-9-14)10-7-12-11-21-20(24-16(12)18)23-13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,22,27)(H,21,23,24)
InChIKeyDXZFQTAPRSQZBA-UHFFFAOYSA-N
XLogP2.61
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45269647) is 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(=O)NC2CC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2.
What is the InChIKey of 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is DXZFQTAPRSQZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-26-18-15(17(25-26)19(27)22-14-8-9-14)10-7-12-11-21-20(24-16(12)18)23-13-5-3-2-4-6-13/h2-6,11,14H,7-10H2,1H3,(H,22,27)(H,21,23,24).
What are the key properties of 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-anilino-N-cyclopropyl-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45269647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).