N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

C22H22N4O — CID 1441697

IUPACN-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1
InChIInChI=1S/C22H22N4O/c1-15-6-4-7-16(12-15)20-13-21-24-19-10-3-2-9-18(19)22(26(21)25-20)23-14-17-8-5-11-27-17/h4-8,11-13,23H,2-3,9-10,14H2,1H3
InChIKeyJXYVADBCSBKTEE-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.79
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine

N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (PubChem CID 1441697) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
PubChem CID1441697
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine
SMILESCc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1
InChIInChI=1S/C22H22N4O/c1-15-6-4-7-16(12-15)20-13-21-24-19-10-3-2-9-18(19)22(26(21)25-20)23-14-17-8-5-11-27-17/h4-8,11-13,23H,2-3,9-10,14H2,1H3
InChIKeyJXYVADBCSBKTEE-UHFFFAOYSA-N
XLogP4.79
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine with MolForge

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Related Compounds

Mrs-1220
CID 393595
9-Chloro-2-(2-furanyl)(1,2,4)triazolo(1,5-c)quinazolin-5-amine
CID 2690
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
CID 2910633
CID 2910633
Mrs1177
CID 10045876
Mrs1186
CID 10065929
9-Benzyl-5-((furan-2-ylmethyl)amino)-7,8,9,10-tetrahydro-[1,2,4]triazolo[3,4-a][2,7]naphthyridine-6-carbonitrile
CID 29111296
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
2-(Furan-2-yl)-7-[3-(4-propan-2-ylsulfonylpiperazin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10127804
2-(Furan-2-yl)-7-[3-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10196061
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
7-[3-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10309974

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine (CID 1441697) is N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is Cc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
The InChIKey is JXYVADBCSBKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-6-4-7-16(12-15)20-13-21-24-19-10-3-2-9-18(19)22(26(21)25-20)23-14-17-8-5-11-27-17/h4-8,11-13,23H,2-3,9-10,14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine?
N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine has a molecular weight of 358.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methylphenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-amine is sourced from PubChem (CID 1441697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).