N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine

C16H14ClN3 — CID 63765703

IUPACN-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
SMILESNCc1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN3/c17-12-5-6-13-15(7-8-19-16(13)9-12)20-14-4-2-1-3-11(14)10-18/h1-9H,10,18H2,(H,19,20)
InChIKeyFMSXOULKOAOQPA-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.09
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine

N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine (PubChem CID 63765703) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
PubChem CID63765703
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine
SMILESNCc1ccccc1Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN3/c17-12-5-6-13-15(7-8-19-16(13)9-12)20-14-4-2-1-3-11(14)10-18/h1-9H,10,18H2,(H,19,20)
InChIKeyFMSXOULKOAOQPA-UHFFFAOYSA-N
XLogP4.09
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-[2-[(7-chloroquinolin-4-yl)amino]phenyl]acetate;hydrochloride
CID 69165819
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
N'-(7-chloroquinolin-4-yl)-1-phenylethane-1,2-diamine
CID 63120842
(E)-N,N'-bis(7-chloroquinolin-4-yl)but-2-ene-1,4-diamine
CID 18933493
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
3-[(7-chloroquinolin-4-yl)amino]naphthalene-2-carboxylate
CID 3638554
CID 10433026
CID 10433026
N-butyl-7-chloroquinolin-4-amine
CID 10037042
N'-(7-chloroquinolin-4-yl)-N-(quinolin-4-ylmethyl)propane-1,3-diamine
CID 102583966
2-[(7-chloroquinolin-4-yl)amino]-6-[(3-fluoropyrrolidin-1-yl)methyl]phenol
CID 162358629

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine?
The IUPAC name of N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine (CID 63765703) is N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine is NCc1ccccc1Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine?
The InChIKey is FMSXOULKOAOQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-12-5-6-13-15(7-8-19-16(13)9-12)20-14-4-2-1-3-11(14)10-18/h1-9H,10,18H2,(H,19,20).
What are the key properties of N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine?
N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-7-chloroquinolin-4-amine is sourced from PubChem (CID 63765703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).