13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

C29H30N4O3 — CID 55902382

IUPAC13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
SMILESCC(NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C29H30N4O3/c1-20(21-9-8-11-24(17-21)36-19-23-10-5-6-15-30-23)31-28(34)22-13-14-25-26(18-22)32-27-12-4-2-3-7-16-33(27)29(25)35/h5-6,8-11,13-15,17-18,20H,2-4,7,12,16,19H2,1H3,(H,31,34)
InChIKeyACCHOFVLGZBASJ-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.98
Rot. Bonds6

About 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide

13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide (PubChem CID 55902382) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide.

Molecular Properties

Compound Name13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
PubChem CID55902382
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
SMILESCC(NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C29H30N4O3/c1-20(21-9-8-11-24(17-21)36-19-23-10-5-6-15-30-23)31-28(34)22-13-14-25-26(18-22)32-27-12-4-2-3-7-16-33(27)29(25)35/h5-6,8-11,13-15,17-18,20H,2-4,7,12,16,19H2,1H3,(H,31,34)
InChIKeyACCHOFVLGZBASJ-UHFFFAOYSA-N
XLogP4.98
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide with MolForge

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Related Compounds

N-[1-(3,4-diethoxyphenyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 42904912
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[(1R)-1-(4-chlorophenyl)ethyl]-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 25489652
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9262704
2-chloro-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 55901872
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
N-[2-(3-chlorophenoxy)ethyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 55724719
N-(3-methoxyphenyl)-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 17496151
13-oxo-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 55720389
(3-propan-2-ylphenyl) 9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxylate
CID 9488858
N'-(3-methoxybenzoyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carbohydrazide
CID 8873287
3-(2-methylpiperidin-1-yl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901608

Frequently Asked Questions

What is the IUPAC name of 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The IUPAC name of 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide (CID 55902382) is 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide.
What is the SMILES notation for 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The canonical SMILES for 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide is CC(NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
The InChIKey is ACCHOFVLGZBASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-20(21-9-8-11-24(17-21)36-19-23-10-5-6-15-30-23)31-28(34)22-13-14-25-26(18-22)32-27-12-4-2-3-7-16-33(27)29(25)35/h5-6,8-11,13-15,17-18,20H,2-4,7,12,16,19H2,1H3,(H,31,34).
What are the key properties of 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide?
13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide is sourced from PubChem (CID 55902382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).