6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile

C24H21FN4O — CID 44231597

IUPAC6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile
SMILESCC1=NC=C2CC(CCC2=N1)(C#N)C3=C4C5=C(C=CC(=C5)F)N(C4=C(C=C3)OC)C
InChIInChI=1S/C24H21FN4O/c1-14-27-12-15-11-24(13-26,9-8-19(15)28-14)18-5-7-21(30-3)23-22(18)17-10-16(25)4-6-20(17)29(23)2/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyGJYWHXLKUBWOJE-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.00
Rot. Bonds2

About 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile

6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile (PubChem CID 44231597) has the molecular formula C24H21FN4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile.

Molecular Properties

Compound Name6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile
PubChem CID44231597
Molecular FormulaC24H21FN4O
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC Name6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile
SMILESCC1=NC=C2CC(CCC2=N1)(C#N)C3=C4C5=C(C=CC(=C5)F)N(C4=C(C=C3)OC)C
InChIInChI=1S/C24H21FN4O/c1-14-27-12-15-11-24(13-26,9-8-19(15)28-14)18-5-7-21(30-3)23-22(18)17-10-16(25)4-6-20(17)29(23)2/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyGJYWHXLKUBWOJE-UHFFFAOYSA-N
XLogP4.00
TPSA63.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity696

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile?
The IUPAC name of 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile (CID 44231597) is 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile.
What is the SMILES notation for 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile?
The canonical SMILES for 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile is CC1=NC=C2CC(CCC2=N1)(C#N)C3=C4C5=C(C=CC(=C5)F)N(C4=C(C=C3)OC)C.
What is the InChIKey of 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile?
The InChIKey is GJYWHXLKUBWOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c1-14-27-12-15-11-24(13-26,9-8-19(15)28-14)18-5-7-21(30-3)23-22(18)17-10-16(25)4-6-20(17)29(23)2/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile?
6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile has a molecular weight of 400.40 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-1-methoxy-9-methylcarbazol-4-yl)-2-methyl-7,8-dihydro-5H-quinazoline-6-carbonitrile is sourced from PubChem (CID 44231597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).