7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

C26H32N4O3 — CID 137457101

IUPAC7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(/N=C/C2=C(N)CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)C2)cc1
InChIInChI=1S/C26H32N4O3/c1-32-22-9-6-21(7-10-22)28-17-20-18-30(14-12-24(20)27)13-2-3-15-33-23-8-4-19-5-11-26(31)29-25(19)16-23/h4,6-10,16-17H,2-3,5,11-15,18,27H2,1H3,(H,29,31)/b28-17+
InChIKeyFHGKAZZTBBVCIB-OGLMXYFKSA-N
MW448.57 g/mol
LogP4.06
Rot. Bonds9

About 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 137457101) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID137457101
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(/N=C/C2=C(N)CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)C2)cc1
InChIInChI=1S/C26H32N4O3/c1-32-22-9-6-21(7-10-22)28-17-20-18-30(14-12-24(20)27)13-2-3-15-33-23-8-4-19-5-11-26(31)29-25(19)16-23/h4,6-10,16-17H,2-3,5,11-15,18,27H2,1H3,(H,29,31)/b28-17+
InChIKeyFHGKAZZTBBVCIB-OGLMXYFKSA-N
XLogP4.06
TPSA89.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 46829776
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015
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
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
7-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134443286
7-[4-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10598609
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butanal
CID 56851120
7-(2-ethylsulfonylethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940190
7-[4-[4-(4-methoxy-1,2-benzothiazol-3-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 25151017
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 137457101) is 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is COc1ccc(/N=C/C2=C(N)CCN(CCCCOc3ccc4c(c3)NC(=O)CC4)C2)cc1.
What is the InChIKey of 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FHGKAZZTBBVCIB-OGLMXYFKSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-32-22-9-6-21(7-10-22)28-17-20-18-30(14-12-24(20)27)13-2-3-15-33-23-8-4-19-5-11-26(31)29-25(19)16-23/h4,6-10,16-17H,2-3,5,11-15,18,27H2,1H3,(H,29,31)/b28-17+.
What are the key properties of 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 448.57 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-amino-5-[(4-methoxyphenyl)iminomethyl]-3,6-dihydro-2H-pyridin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 137457101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).