[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

C23H27N5O3 — CID 174046509

IUPAC[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(/N=C/C(C)=CN)c2c1
InChIInChI=1S/C23H27N5O3/c1-15(12-24)13-26-21-18-11-17(31-2)5-6-20(18)25-14-19(21)23(30)28-9-7-27(8-10-28)22(29)16-3-4-16/h5-6,11-14,16H,3-4,7-10,24H2,1-2H3/b15-12?,26-13+
InChIKeyFKMABJDAOZUQOV-PDPMYTICSA-N
MW421.50 g/mol
LogP2.50
Rot. Bonds5

About [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone

[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (PubChem CID 174046509) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
PubChem CID174046509
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
SMILESCOc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(/N=C/C(C)=CN)c2c1
InChIInChI=1S/C23H27N5O3/c1-15(12-24)13-26-21-18-11-17(31-2)5-6-20(18)25-14-19(21)23(30)28-9-7-27(8-10-28)22(29)16-3-4-16/h5-6,11-14,16H,3-4,7-10,24H2,1-2H3/b15-12?,26-13+
InChIKeyFKMABJDAOZUQOV-PDPMYTICSA-N
XLogP2.50
TPSA101.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581331
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
[6-chloro-4-(2,4-dimethoxyanilino)quinolin-3-yl]-thiomorpholin-4-ylmethanone
CID 53335880
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581534
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
cyclopropyl-[4-[6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone;cyclopropyl(piperazin-1-yl)methanone;ethyl 4-chloro-6-methoxyquinoline-3-carboxylate;ethyl 6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylate;6-methoxy-4-(1-methylpyrazol-4-yl)quinoline-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;hydrochloride
CID 158644491
N-[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methoxyphenyl]acetamide
CID 110800478

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone (CID 174046509) is [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(/N=C/C(C)=CN)c2c1.
What is the InChIKey of [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is FKMABJDAOZUQOV-PDPMYTICSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15(12-24)13-26-21-18-11-17(31-2)5-6-20(18)25-14-19(21)23(30)28-9-7-27(8-10-28)22(29)16-3-4-16/h5-6,11-14,16H,3-4,7-10,24H2,1-2H3/b15-12?,26-13+.
What are the key properties of [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone?
[4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 421.50 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(3-amino-2-methylprop-2-enylidene)amino]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 174046509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).