(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide

C22H27ClN6O — CID 66988429

IUPAC(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESCN(CCCNC(=O)/C=C\c1cnc[nH]1)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C22H27ClN6O/c1-29(13-3-10-27-22(30)7-5-18-15-24-16-28-18)12-2-9-25-20-8-11-26-21-14-17(23)4-6-19(20)21/h4-8,11,14-16H,2-3,9-10,12-13H2,1H3,(H,24,28)(H,25,26)(H,27,30)/b7-5-
InChIKeyUKXHAJBKRHPNDL-ALCCZGGFSA-N
MW426.95 g/mol
LogP3.56
Rot. Bonds11

About (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide

(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide (PubChem CID 66988429) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide
PubChem CID66988429
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Name(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESCN(CCCNC(=O)/C=C\c1cnc[nH]1)CCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C22H27ClN6O/c1-29(13-3-10-27-22(30)7-5-18-15-24-16-28-18)12-2-9-25-20-8-11-26-21-14-17(23)4-6-19(20)21/h4-8,11,14-16H,2-3,9-10,12-13H2,1H3,(H,24,28)(H,25,26)(H,27,30)/b7-5-
InChIKeyUKXHAJBKRHPNDL-ALCCZGGFSA-N
XLogP3.56
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide with MolForge

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Related Compounds

(E)-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-3-phenylprop-2-enamide
CID 71520744
(E)-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 66556004
(E)-N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 71520943
tert-butyl N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 118890347
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[3-(quinolin-2-ylamino)propyl]propane-1,3-diamine
CID 91884589
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylcyclobutanecarboxamide
CID 42743654
N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide (CID 66988429) is (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide is CN(CCCNC(=O)/C=C\c1cnc[nH]1)CCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is UKXHAJBKRHPNDL-ALCCZGGFSA-N. The full InChI is InChI=1S/C22H27ClN6O/c1-29(13-3-10-27-22(30)7-5-18-15-24-16-28-18)12-2-9-25-20-8-11-26-21-14-17(23)4-6-19(20)21/h4-8,11,14-16H,2-3,9-10,12-13H2,1H3,(H,24,28)(H,25,26)(H,27,30)/b7-5-.
What are the key properties of (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
(Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 426.95 g/mol, XLogP of 3.56, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-methylamino]propyl]-3-(1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 66988429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).