(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide

C20H18ClN3O2 — CID 156906816

IUPAC(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
SMILESNC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1
InChIKeyILSGMAUMNXSNQB-FQEVSTJZSA-N
MW367.84 g/mol
LogP3.51
Rot. Bonds3

About (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide

(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide (PubChem CID 156906816) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
PubChem CID156906816
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
SMILESNC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21
InChIInChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1
InChIKeyILSGMAUMNXSNQB-FQEVSTJZSA-N
XLogP3.51
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[6-chloro-4-(isoquinolin-4-ylcarbamoyl)-2,3-dihydrochromen-4-yl]methyl]carbamate
CID 156906323
(4R)-4-amino-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906460
6-chloro-N-isoquinolin-4-yl-4-[[(1-methylpyrazol-3-yl)methylamino]methyl]-2,3-dihydrochromene-4-carboxamide
CID 156906544
(4R)-6-chloro-4-[[(2-imidazol-1-ylacetyl)amino]methyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 169408272
6-chloro-4-[2-[3-(2,2-difluoroethyl)morpholin-4-yl]-2-oxoethyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906572
6-chloro-N-isoquinolin-4-yl-4-[2-oxo-2-(2-pyrazolidin-3-ylpiperidin-1-yl)ethyl]-2,3-dihydrochromene-4-carboxamide
CID 169423065
6-chloro-4-[[(7-cyano-1-methylimidazo[2,1-e]pyrazol-3-yl)methylamino]methyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906205
6-chloro-4-[[[1-(1,1-dioxothiolan-3-yl)pyrazol-4-yl]methylamino]methyl]-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide
CID 156906184
6,7-dichloro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
CID 156906656
6-chloro-3'-isoquinolin-4-ylspiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 156906822
5-chloro-N-isoquinolin-4-yl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 156907081
6,8-difluoro-N-isoquinolin-4-yl-4-methoxy-2,3-dihydrochromene-4-carboxamide
CID 156906497

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide?
The IUPAC name of (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide (CID 156906816) is (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide.
What is the SMILES notation for (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide?
The canonical SMILES for (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide is NC[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21.
What is the InChIKey of (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide?
The InChIKey is ILSGMAUMNXSNQB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-14-5-6-18-16(9-14)20(12-22,7-8-26-18)19(25)24-17-11-23-10-13-3-1-2-4-15(13)17/h1-6,9-11H,7-8,12,22H2,(H,24,25)/t20-/m0/s1.
What are the key properties of (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide?
(4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)-6-chloro-N-isoquinolin-4-yl-2,3-dihydrochromene-4-carboxamide is sourced from PubChem (CID 156906816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).