7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

C25H29N3O2 — CID 175505645

IUPAC7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1c2c(c3ccccc31)CN(CCCCOc1ccc3c(c1)NC(=O)CC3)CC2
InChIInChI=1S/C25H29N3O2/c1-27-23-7-3-2-6-20(23)21-17-28(14-12-24(21)27)13-4-5-15-30-19-10-8-18-9-11-25(29)26-22(18)16-19/h2-3,6-8,10,16H,4-5,9,11-15,17H2,1H3,(H,26,29)
InChIKeyAWQZADSBPMNPCR-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.28
Rot. Bonds6

About 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 175505645) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID175505645
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCn1c2c(c3ccccc31)CN(CCCCOc1ccc3c(c1)NC(=O)CC3)CC2
InChIInChI=1S/C25H29N3O2/c1-27-23-7-3-2-6-20(23)21-17-28(14-12-24(21)27)13-4-5-15-30-19-10-8-18-9-11-25(29)26-22(18)16-19/h2-3,6-8,10,16H,4-5,9,11-15,17H2,1H3,(H,26,29)
InChIKeyAWQZADSBPMNPCR-UHFFFAOYSA-N
XLogP4.28
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Paynantheine
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Speciogynine
CID 15560577
Speciociliatine
CID 15560576
Ko 143
CID 10322450
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
(-)-Aricine
CID 72313
N-(4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
CID 10160968
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
(1S,3R)-N-hydroxy-4-oxo-6-{4-[(2-phenylquinolin-4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-1-carboxamide
CID 25138230

Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 175505645) is 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is Cn1c2c(c3ccccc31)CN(CCCCOc1ccc3c(c1)NC(=O)CC3)CC2.
What is the InChIKey of 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is AWQZADSBPMNPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-27-23-7-3-2-6-20(23)21-17-28(14-12-24(21)27)13-4-5-15-30-19-10-8-18-9-11-25(29)26-22(18)16-19/h2-3,6-8,10,16H,4-5,9,11-15,17H2,1H3,(H,26,29).
What are the key properties of 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 403.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 175505645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).