2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine

C22H30N4O3 — CID 167287117

IUPAC2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
SMILESCOc1cc2nc3c(c(NC4CCN([C@@H]5CCOC5)CC4)c2nc1OC)CCC3
InChIInChI=1S/C22H30N4O3/c1-27-19-12-18-21(25-22(19)28-2)20(16-4-3-5-17(16)24-18)23-14-6-9-26(10-7-14)15-8-11-29-13-15/h12,14-15H,3-11,13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyIZNBRWDZJVUNGJ-OAHLLOKOSA-N
MW398.51 g/mol
LogP2.80
Rot. Bonds5

About 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine

2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine (PubChem CID 167287117) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine.

Molecular Properties

Compound Name2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
PubChem CID167287117
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
SMILESCOc1cc2nc3c(c(NC4CCN([C@@H]5CCOC5)CC4)c2nc1OC)CCC3
InChIInChI=1S/C22H30N4O3/c1-27-19-12-18-21(25-22(19)28-2)20(16-4-3-5-17(16)24-18)23-14-6-9-26(10-7-14)15-8-11-29-13-15/h12,14-15H,3-11,13H2,1-2H3,(H,23,24)/t15-/m1/s1
InChIKeyIZNBRWDZJVUNGJ-OAHLLOKOSA-N
XLogP2.80
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dimethoxy-N-[1-(oxolan-3-yl)piperidin-4-yl]-6,7,8,9-tetrahydrobenzo[b][1,5]naphthyridin-10-amine
CID 166560802
2,3-dimethoxy-N-[1-[(3R)-5-methyloxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
CID 167287095
N-(azepan-3-yl)-2,3-dimethoxy-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine;hydrochloride
CID 168764768
N-(1-cyclopropylpiperidin-4-yl)-8,9-dimethoxy-1,2,4,5-tetrahydrooxepino[4,5-b]quinolin-11-amine
CID 148717078
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560553
N-[(3R)-piperidin-3-yl]-2,3-bis(trideuteriomethoxy)-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine
CID 166560783
6-ethoxy-N-(1-ethylpiperidin-4-yl)-7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 166560804
2-[4-[(6,7-dimethoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]piperidin-1-yl]ethanol
CID 147327134
3-[4-[(2,3-dimethoxy-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-yl)amino]piperidin-1-yl]propanenitrile
CID 166560557
9-[(1-ethylpiperidin-4-yl)amino]-2-methoxy-5,6,7,8-tetrahydroacridine-3-carbonitrile
CID 166560815
2-methoxy-9-[(1-methylpiperidin-4-yl)amino]-5,6,7,8-tetrahydroacridine-3-carbonitrile
CID 166560629
6-chloro-7-methoxy-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroacridin-9-amine
CID 166560741

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The IUPAC name of 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine (CID 167287117) is 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine.
What is the SMILES notation for 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The canonical SMILES for 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine is COc1cc2nc3c(c(NC4CCN([C@@H]5CCOC5)CC4)c2nc1OC)CCC3.
What is the InChIKey of 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
The InChIKey is IZNBRWDZJVUNGJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-27-19-12-18-21(25-22(19)28-2)20(16-4-3-5-17(16)24-18)23-14-6-9-26(10-7-14)15-8-11-29-13-15/h12,14-15H,3-11,13H2,1-2H3,(H,23,24)/t15-/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine?
2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine has a molecular weight of 398.51 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]-7,8-dihydro-6H-cyclopenta[b][1,5]naphthyridin-9-amine is sourced from PubChem (CID 167287117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).