N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride

C19H27ClN4O2 — CID 168764768

IUPACN-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride
SMILESCOc1cc2nc3c(c(NC4CCCCNC4)c2nc1OC)CCC3.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-24-16-10-15-18(23-19(16)25-2)17(13-7-5-8-14(13)22-15)21-12-6-3-4-9-20-11-12;/h10,12,20H,3-9,11H2,1-2H3,(H,21,22);1H
InChIKeyWVCQCDOUCHTZFQ-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.11
Rot. Bonds4

About N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride

N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride (PubChem CID 168764768) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride.

Molecular Properties

Compound NameN-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride
PubChem CID168764768
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride
SMILESCOc1cc2nc3c(c(NC4CCCCNC4)c2nc1OC)CCC3.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-24-16-10-15-18(23-19(16)25-2)17(13-7-5-8-14(13)22-15)21-12-6-3-4-9-20-11-12;/h10,12,20H,3-9,11H2,1-2H3,(H,21,22);1H
InChIKeyWVCQCDOUCHTZFQ-UHFFFAOYSA-N
XLogP3.11
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride?
The IUPAC name of N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride (CID 168764768) is N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride.
What is the SMILES notation for N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride?
The canonical SMILES for N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride is COc1cc2nc3c(c(NC4CCCCNC4)c2nc1OC)CCC3.Cl.
What is the InChIKey of N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride?
The InChIKey is WVCQCDOUCHTZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-24-16-10-15-18(23-19(16)25-2)17(13-7-5-8-14(13)22-15)21-12-6-3-4-9-20-11-12;/h10,12,20H,3-9,11H2,1-2H3,(H,21,22);1H.
What are the key properties of N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride?
N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride is sourced from PubChem (CID 168764768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).