N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine

C22H19N5 — CID 112894308

IUPACN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine
SMILESc1ccc2c(c1)CCN(c1ccnc(Nc3cccc4cccnc34)n1)C2
InChIInChI=1S/C22H19N5/c1-2-6-18-15-27(14-11-16(18)5-1)20-10-13-24-22(26-20)25-19-9-3-7-17-8-4-12-23-21(17)19/h1-10,12-13H,11,14-15H2,(H,24,25,26)
InChIKeyPOIDUJXXFWZMBI-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.33
Rot. Bonds3

About N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine (PubChem CID 112894308) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine
PubChem CID112894308
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine
SMILESc1ccc2c(c1)CCN(c1ccnc(Nc3cccc4cccnc34)n1)C2
InChIInChI=1S/C22H19N5/c1-2-6-18-15-27(14-11-16(18)5-1)20-10-13-24-22(26-20)25-19-9-3-7-17-8-4-12-23-21(17)19/h1-10,12-13H,11,14-15H2,(H,24,25,26)
InChIKeyPOIDUJXXFWZMBI-UHFFFAOYSA-N
XLogP4.33
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 112894284
N-(2,4-difluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine
CID 112894310
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 112894274
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109308071
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 112894219
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885872
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 112899619
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)pyrimidin-2-amine
CID 112886203
3,4-dihydro-1H-isoquinolin-2-yl-[4-(quinolin-8-ylamino)-2-pyridinyl]methanone
CID 109213831
3,4-dihydro-1H-isoquinolin-2-yl-[5-(quinolin-8-ylamino)-3-pyridinyl]methanone
CID 109236105
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562
N-(2-tert-butylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112887993

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine?
The IUPAC name of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine (CID 112894308) is N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine.
What is the SMILES notation for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine?
The canonical SMILES for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine is c1ccc2c(c1)CCN(c1ccnc(Nc3cccc4cccnc34)n1)C2.
What is the InChIKey of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine?
The InChIKey is POIDUJXXFWZMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-6-18-15-27(14-11-16(18)5-1)20-10-13-24-22(26-20)25-19-9-3-7-17-8-4-12-23-21(17)19/h1-10,12-13H,11,14-15H2,(H,24,25,26).
What are the key properties of N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine?
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine has a molecular weight of 353.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]quinolin-8-amine is sourced from PubChem (CID 112894308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).