6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole

C19H19ClN4 — CID 67036387

IUPAC6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESC/C(=C/n1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccncn1
InChIInChI=1S/C19H19ClN4/c1-13(17-5-7-21-12-22-17)10-24-18-4-3-14(20)9-16(18)15-6-8-23(2)11-19(15)24/h3-5,7,9-10,12H,6,8,11H2,1-2H3/b13-10-
InChIKeyUWSTUKQUIFWNGW-RAXLEYEMSA-N
MW338.84 g/mol
LogP4.09
Rot. Bonds2

About 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole

6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole (PubChem CID 67036387) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole
PubChem CID67036387
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole
SMILESC/C(=C/n1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccncn1
InChIInChI=1S/C19H19ClN4/c1-13(17-5-7-21-12-22-17)10-24-18-4-3-14(20)9-16(18)15-6-8-23(2)11-19(15)24/h3-5,7,9-10,12H,6,8,11H2,1-2H3/b13-10-
InChIKeyUWSTUKQUIFWNGW-RAXLEYEMSA-N
XLogP4.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole (CID 67036387) is 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole is C/C(=C/n1c2c(c3cc(Cl)ccc31)CCN(C)C2)c1ccncn1.
What is the InChIKey of 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole?
The InChIKey is UWSTUKQUIFWNGW-RAXLEYEMSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-13(17-5-7-21-12-22-17)10-24-18-4-3-14(20)9-16(18)15-6-8-23(2)11-19(15)24/h3-5,7,9-10,12H,6,8,11H2,1-2H3/b13-10-.
What are the key properties of 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole?
6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole has a molecular weight of 338.84 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-9-[(Z)-2-pyrimidin-4-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 67036387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).