N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine

C19H23ClN4 — CID 156548171

IUPACN-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine
SMILESC=CN(C)CC1(CC)C(=C)N(C)c2cc3c(Cl)nc(C)nc3cc21
InChIInChI=1S/C19H23ClN4/c1-7-19(11-23(5)8-2)12(3)24(6)17-9-14-16(10-15(17)19)21-13(4)22-18(14)20/h8-10H,2-3,7,11H2,1,4-6H3
InChIKeyFMBDWUUEBRJDLN-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.28
Rot. Bonds4

About N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine

N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine (PubChem CID 156548171) has the molecular formula C19H23ClN4 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine.

Molecular Properties

Compound NameN-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine
PubChem CID156548171
Molecular FormulaC19H23ClN4
Molecular Weight342.87 g/mol
Exact Mass342.16
IUPAC NameN-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine
SMILESC=CN(C)CC1(CC)C(=C)N(C)c2cc3c(Cl)nc(C)nc3cc21
InChIInChI=1S/C19H23ClN4/c1-7-19(11-23(5)8-2)12(3)24(6)17-9-14-16(10-15(17)19)21-13(4)22-18(14)20/h8-10H,2-3,7,11H2,1,4-6H3
InChIKeyFMBDWUUEBRJDLN-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine?
The IUPAC name of N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine (CID 156548171) is N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine.
What is the SMILES notation for N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine?
The canonical SMILES for N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine is C=CN(C)CC1(CC)C(=C)N(C)c2cc3c(Cl)nc(C)nc3cc21.
What is the InChIKey of N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine?
The InChIKey is FMBDWUUEBRJDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4/c1-7-19(11-23(5)8-2)12(3)24(6)17-9-14-16(10-15(17)19)21-13(4)22-18(14)20/h8-10H,2-3,7,11H2,1,4-6H3.
What are the key properties of N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine?
N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine has a molecular weight of 342.87 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-8-ethyl-2,6-dimethyl-7-methylidenepyrrolo[2,3-g]quinazolin-8-yl)methyl]-N-methylethenamine is sourced from PubChem (CID 156548171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).