N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine

C23H20N4 — CID 149250309

IUPACN,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine
SMILESCc1nc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2ccccc2n1
InChIInChI=1S/C23H20N4/c1-15-24-20-10-6-4-9-18(20)23(25-15)26(2)16-12-13-22-19(14-16)17-8-5-7-11-21(17)27(22)3/h4-14H,1-3H3
InChIKeyXNXRBSIGAJPDMZ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.35
Rot. Bonds2

About N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine

N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine (PubChem CID 149250309) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine.

Molecular Properties

Compound NameN,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine
PubChem CID149250309
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC NameN,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine
SMILESCc1nc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2ccccc2n1
InChIInChI=1S/C23H20N4/c1-15-24-20-10-6-4-9-18(20)23(25-15)26(2)16-12-13-22-19(14-16)17-8-5-7-11-21(17)27(22)3/h4-14H,1-3H3
InChIKeyXNXRBSIGAJPDMZ-UHFFFAOYSA-N
XLogP5.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine?
The IUPAC name of N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine (CID 149250309) is N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine.
What is the SMILES notation for N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine?
The canonical SMILES for N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine is Cc1nc(N(C)c2ccc3c(c2)c2ccccc2n3C)c2ccccc2n1.
What is the InChIKey of N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine?
The InChIKey is XNXRBSIGAJPDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c1-15-24-20-10-6-4-9-18(20)23(25-15)26(2)16-12-13-22-19(14-16)17-8-5-7-11-21(17)27(22)3/h4-14H,1-3H3.
What are the key properties of N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine?
N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine has a molecular weight of 352.44 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine is sourced from PubChem (CID 149250309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).