5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C24H28N4 — CID 5169550

IUPAC5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc(N3CCCCCC3)cc1)Nc1c(C)cccc1-2
InChIInChI=1S/C24H28N4/c1-17-8-7-9-21-22-16-18(2)26-28(22)24(25-23(17)21)19-10-12-20(13-11-19)27-14-5-3-4-6-15-27/h7-13,16,24-25H,3-6,14-15H2,1-2H3
InChIKeySOJHATOWVVDRNE-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.52
Rot. Bonds2

About 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 5169550) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID5169550
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1ccc(N3CCCCCC3)cc1)Nc1c(C)cccc1-2
InChIInChI=1S/C24H28N4/c1-17-8-7-9-21-22-16-18(2)26-28(22)24(25-23(17)21)19-10-12-20(13-11-19)27-14-5-3-4-6-15-27/h7-13,16,24-25H,3-6,14-15H2,1-2H3
InChIKeySOJHATOWVVDRNE-UHFFFAOYSA-N
XLogP5.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenyl]morpholine
CID 982258
2,7-dimethyl-5-(4-methylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3905470
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4071688
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]-2,6-dimethoxyphenol
CID 135726011
4-[4-[(5S)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenyl]morpholine
CID 135726038
(5S)-5-(1,3-diphenylpyrazol-4-yl)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 136877867
4-tert-butyl-6-(2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)benzene-1,3-diol
CID 3158756
4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095515
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158655
1-[4-(2-methylphenyl)phenyl]pyrrolidine
CID 168512930
(5S)-2,7,9-trimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135689931
5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158691

Frequently Asked Questions

What is the IUPAC name of 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 5169550) is 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1ccc(N3CCCCCC3)cc1)Nc1c(C)cccc1-2.
What is the InChIKey of 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is SOJHATOWVVDRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-17-8-7-9-21-22-16-18(2)26-28(22)24(25-23(17)21)19-10-12-20(13-11-19)27-14-5-3-4-6-15-27/h7-13,16,24-25H,3-6,14-15H2,1-2H3.
What are the key properties of 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 372.52 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azepan-1-yl)phenyl]-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 5169550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).