3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine

C26H31N5O2 — CID 74369056

IUPAC3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(c1)C(=NOCCCN(C)C)c1c-2c(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3
InChIKeyPNUJPTIHYOIYLV-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.35
Rot. Bonds7

About 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine

3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine (PubChem CID 74369056) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine
PubChem CID74369056
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine
SMILESCOc1ccc2c(c1)C(=NOCCCN(C)C)c1c-2c(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3
InChIKeyPNUJPTIHYOIYLV-UHFFFAOYSA-N
XLogP3.35
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-imine
CID 42598159
3-[(E)-[2,9-dimethoxy-6-(4-methoxyphenyl)indeno[1,2-c]quinolin-11-ylidene]amino]oxy-N,N-dimethylpropan-1-amine
CID 57395808
8,9-dimethoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-one
CID 68770621
3-[2-(dimethylamino)ethylamino]-1-[4-(9-methoxy-11-nitroso-11H-indeno[1,2-c]quinolin-6-yl)piperazin-1-yl]propan-1-one
CID 91270548
N-(2,4-dimethoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
CID 1290462
6-[4-[2-hydroxy-3-(methylamino)propyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one
CID 68766753
6-[3-(dimethylamino)propoxy]-2,9-dimethoxyindeno[1,2-c]quinolin-11-one
CID 54673455
7-methoxy-1-piperazin-1-ylisoquinoline
CID 23155836
7-methoxy-3-methyl-2-piperazin-1-ylquinoline;hydrochloride
CID 121237209
(E)-2-fluoro-9-methoxy-6-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethoxy)indeno[1,2-c]quinolin-11-imine
CID 57392295
3-ethyl-7-methoxy-2-piperazin-1-ylquinoline
CID 121236560
6-methoxy-N-(3-phenylpropyl)-2-piperazin-1-ylquinazolin-4-amine
CID 44532421

Frequently Asked Questions

What is the IUPAC name of 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine (CID 74369056) is 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine is COc1ccc2c(c1)C(=NOCCCN(C)C)c1c-2c(N2CCNCC2)nc2ccccc12.
What is the InChIKey of 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is PNUJPTIHYOIYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3.
What are the key properties of 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine?
3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 445.57 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(9-methoxy-6-piperazin-1-ylindeno[1,2-c]quinolin-11-ylidene)amino]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 74369056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).