N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide

C28H30ClN5O — CID 58476701

IUPACN-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide
SMILESO=CNCCN(CCNc1ccnc2cc(Cl)ccc12)CCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30ClN5O/c29-23-11-12-26-27(13-14-31-28(26)21-23)32-16-18-33(17-15-30-22-35)19-20-34(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,21-22H,15-20H2,(H,30,35)(H,31,32)
InChIKeyQNMLXKRSVYRALM-UHFFFAOYSA-N
MW488.04 g/mol
LogP5.19
Rot. Bonds13

About N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide

N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide (PubChem CID 58476701) has the molecular formula C28H30ClN5O and a molecular weight of 488.04 g/mol. Its IUPAC name is N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide
PubChem CID58476701
Molecular FormulaC28H30ClN5O
Molecular Weight488.04 g/mol
Exact Mass487.21
IUPAC NameN-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide
SMILESO=CNCCN(CCNc1ccnc2cc(Cl)ccc12)CCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H30ClN5O/c29-23-11-12-26-27(13-14-31-28(26)21-23)32-16-18-33(17-15-30-22-35)19-20-34(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,21-22H,15-20H2,(H,30,35)(H,31,32)
InChIKeyQNMLXKRSVYRALM-UHFFFAOYSA-N
XLogP5.19
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.04
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(7-chloroquinolin-4-yl)-N'-methyl-N'-[2-(N-phenylanilino)ethyl]butane-1,4-diamine
CID 58476704
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
CID 42707271
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
CID 11847300
CID 11847300
N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine
CID 101126572
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
7-chloro-N-[2-[4-(N-phenylanilino)piperidin-1-yl]ethyl]quinolin-4-amine
CID 58476711

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide?
The IUPAC name of N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide (CID 58476701) is N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide?
The canonical SMILES for N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide is O=CNCCN(CCNc1ccnc2cc(Cl)ccc12)CCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide?
The InChIKey is QNMLXKRSVYRALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O/c29-23-11-12-26-27(13-14-31-28(26)21-23)32-16-18-33(17-15-30-22-35)19-20-34(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,21-22H,15-20H2,(H,30,35)(H,31,32).
What are the key properties of N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide?
N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide has a molecular weight of 488.04 g/mol, XLogP of 5.19, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide is sourced from PubChem (CID 58476701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).