1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine

C23H18ClN3 — CID 58524603

IUPAC1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3nc4ccnc(Cl)c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H18ClN3/c24-22-19-14-18(15-4-2-1-3-5-15)21(27-20(19)10-13-26-22)16-6-8-17(9-7-16)23(25)11-12-23/h1-10,13-14H,11-12,25H2
InChIKeyGMJHSDCVQHFHEZ-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.57
Rot. Bonds3

About 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine

1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine (PubChem CID 58524603) has the molecular formula C23H18ClN3 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
PubChem CID58524603
Molecular FormulaC23H18ClN3
Molecular Weight371.87 g/mol
Exact Mass371.12
IUPAC Name1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine
SMILESNC1(c2ccc(-c3nc4ccnc(Cl)c4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C23H18ClN3/c24-22-19-14-18(15-4-2-1-3-5-15)21(27-20(19)10-13-26-22)16-6-8-17(9-7-16)23(25)11-12-23/h1-10,13-14H,11-12,25H2
InChIKeyGMJHSDCVQHFHEZ-UHFFFAOYSA-N
XLogP5.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Rsm-932A
CID 11239948
N-3-Pyridinyl-9-acridinamine
CID 53313
Ucl1848
CID 9811445
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CID 656986
7-chloro-N-(pyridin-2-ylmethyl)quinolin-4-amine
CID 4791782
1,6-Hexanediamine, N,N'-di-4-quinolinyl-
CID 151778
1,8-Octanediamine, N,N'-di-4-quinolinyl-
CID 151780
1,10-Decanediamine, N,N'-di-4-quinolinyl-
CID 151782
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 2c
CID 5330482
7-Chloro-3-pyridin-4-yl-quinoline
CID 10354294
4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline
CID 18326767
Lys01
CID 70673567

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine (CID 58524603) is 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine is NC1(c2ccc(-c3nc4ccnc(Cl)c4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine?
The InChIKey is GMJHSDCVQHFHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3/c24-22-19-14-18(15-4-2-1-3-5-15)21(27-20(19)10-13-26-22)16-6-8-17(9-7-16)23(25)11-12-23/h1-10,13-14H,11-12,25H2.
What are the key properties of 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine?
1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine has a molecular weight of 371.87 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 58524603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).