N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide

C31H30Cl2N6O — CID 42707271

IUPACN-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
SMILESO=C(NCCN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C31H30Cl2N6O/c32-23-6-8-25-27(10-12-34-29(25)20-23)36-14-17-39(19-16-38-31(40)22-4-2-1-3-5-22)18-15-37-28-11-13-35-30-21-24(33)7-9-26(28)30/h1-13,20-21H,14-19H2,(H,34,36)(H,35,37)(H,38,40)
InChIKeyDUTOVGMPKQSQRW-UHFFFAOYSA-N
MW573.53 g/mol
LogP6.35
Rot. Bonds12

About N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide

N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide (PubChem CID 42707271) has the molecular formula C31H30Cl2N6O and a molecular weight of 573.53 g/mol. Its IUPAC name is N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
PubChem CID42707271
Molecular FormulaC31H30Cl2N6O
Molecular Weight573.53 g/mol
Exact Mass572.19
IUPAC NameN-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide
SMILESO=C(NCCN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12)c1ccccc1
InChIInChI=1S/C31H30Cl2N6O/c32-23-6-8-25-27(10-12-34-29(25)20-23)36-14-17-39(19-16-38-31(40)22-4-2-1-3-5-22)18-15-37-28-11-13-35-30-21-24(33)7-9-26(28)30/h1-13,20-21H,14-19H2,(H,34,36)(H,35,37)(H,38,40)
InChIKeyDUTOVGMPKQSQRW-UHFFFAOYSA-N
XLogP6.35
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.53
LogP ≤ 56.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide with MolForge

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Related Compounds

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methylbenzamide
CID 42743625
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
4-acetamido-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]benzamide
CID 67991877
N-[2-[2-[(7-chloroquinolin-4-yl)amino]ethyl-[2-(N-phenylanilino)ethyl]amino]ethyl]formamide
CID 58476701
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 100776891
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 100778803
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
CID 11847300
CID 11847300
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
N-(7-chloroquinolin-4-yl)-N',N'-bis(cyclopenta-2,4-dien-1-ylmethyl)ethane-1,2-diamine
CID 101126572
3-[(7-chloroquinolin-4-yl)amino]propyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate
CID 71764581

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide (CID 42707271) is N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide is O=C(NCCN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12)c1ccccc1.
What is the InChIKey of N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide?
The InChIKey is DUTOVGMPKQSQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30Cl2N6O/c32-23-6-8-25-27(10-12-34-29(25)20-23)36-14-17-39(19-16-38-31(40)22-4-2-1-3-5-22)18-15-37-28-11-13-35-30-21-24(33)7-9-26(28)30/h1-13,20-21H,14-19H2,(H,34,36)(H,35,37)(H,38,40).
What are the key properties of N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide?
N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide has a molecular weight of 573.53 g/mol, XLogP of 6.35, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 42707271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).