8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine

C23H30N4O2 — CID 130345803

IUPAC8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine
SMILESCOc1cc2c(NC(C)C)c3ncccc3nc2cc1OCCCN1CCCC1
InChIInChI=1S/C23H30N4O2/c1-16(2)25-22-17-14-20(28-3)21(29-13-7-12-27-10-4-5-11-27)15-19(17)26-18-8-6-9-24-23(18)22/h6,8-9,14-16H,4-5,7,10-13H2,1-3H3,(H,25,26)
InChIKeyYDPUKRZOIYIBLY-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.48
Rot. Bonds8

About 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine

8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine (PubChem CID 130345803) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine.

Molecular Properties

Compound Name8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine
PubChem CID130345803
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine
SMILESCOc1cc2c(NC(C)C)c3ncccc3nc2cc1OCCCN1CCCC1
InChIInChI=1S/C23H30N4O2/c1-16(2)25-22-17-14-20(28-3)21(29-13-7-12-27-10-4-5-11-27)15-19(17)26-18-8-6-9-24-23(18)22/h6,8-9,14-16H,4-5,7,10-13H2,1-3H3,(H,25,26)
InChIKeyYDPUKRZOIYIBLY-UHFFFAOYSA-N
XLogP4.48
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridine
CID 137479056
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
1-[[7-methoxy-8-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,8]naphthyridin-5-yl]amino]-2-methylpropan-2-ol
CID 137478957
N-butan-2-yl-2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 137479063
N-[(2S)-butan-2-yl]-2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345832
3-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]propan-1-ol
CID 130345683
2-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]acetic acid
CID 130345731
4-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]butanenitrile
CID 130345769
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664
(1S,3S)-8-methoxy-1,3-dimethyl-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135185166
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine?
The IUPAC name of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine (CID 130345803) is 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine.
What is the SMILES notation for 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine?
The canonical SMILES for 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine is COc1cc2c(NC(C)C)c3ncccc3nc2cc1OCCCN1CCCC1.
What is the InChIKey of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine?
The InChIKey is YDPUKRZOIYIBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(2)25-22-17-14-20(28-3)21(29-13-7-12-27-10-4-5-11-27)15-19(17)26-18-8-6-9-24-23(18)22/h6,8-9,14-16H,4-5,7,10-13H2,1-3H3,(H,25,26).
What are the key properties of 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine?
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine has a molecular weight of 394.52 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine is sourced from PubChem (CID 130345803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).