9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline

C25H29NS — CID 135299813

IUPAC9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline
SMILESCC(C)c1sc2c(c1-c1ccccc1)N(C(C)C)c1ccccc1C2(C)C
InChIInChI=1S/C25H29NS/c1-16(2)23-21(18-12-8-7-9-13-18)22-24(27-23)25(5,6)19-14-10-11-15-20(19)26(22)17(3)4/h7-17H,1-6H3
InChIKeyXQRAXDVNMPVTTP-UHFFFAOYSA-N
MW375.58 g/mol
LogP7.72
Rot. Bonds3

About 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline

9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline (PubChem CID 135299813) has the molecular formula C25H29NS and a molecular weight of 375.58 g/mol. Its IUPAC name is 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline.

Molecular Properties

Compound Name9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline
PubChem CID135299813
Molecular FormulaC25H29NS
Molecular Weight375.58 g/mol
Exact Mass375.20
IUPAC Name9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline
SMILESCC(C)c1sc2c(c1-c1ccccc1)N(C(C)C)c1ccccc1C2(C)C
InChIInChI=1S/C25H29NS/c1-16(2)23-21(18-12-8-7-9-13-18)22-24(27-23)25(5,6)19-14-10-11-15-20(19)26(22)17(3)4/h7-17H,1-6H3
InChIKeyXQRAXDVNMPVTTP-UHFFFAOYSA-N
XLogP7.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.58
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-diphenyl-10-propan-2-ylacridine
CID 134577995
3-phenyl-2,4-di(propan-2-yl)furo[2,3-b][1,4]benzothiazine
CID 134402637
1,3,4,4-tetra(propan-2-yl)quinazolin-2-one
CID 18685234
2,4-di(propan-2-yl)thieno[2,3-b][1,4]benzoxazin-3-amine
CID 126670619
4-phenyl-N-[4-(5-phenylthiophen-2-yl)phenyl]-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]aniline
CID 90201389
2-[3,5-bis(1,3-benzothiazol-2-yl)-2,4-bis(9,9-dimethylacridin-10-yl)-6-phenylphenyl]-1,3-benzothiazole
CID 164705954
9,9,10-trimethyl-1-[10-(10-phenylanthracen-9-yl)-8-(9,9,10-trimethylacridin-1-yl)anthracen-1-yl]acridine
CID 155333301
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
10-[5-(9,9-dimethylacridin-10-yl)thiophen-2-yl]-9,9-dimethylacridine
CID 59399701
3-methyl-1-propan-2-yl-3-(2,2,2-trifluoroethyl)indol-2-one
CID 102133533
9,9,10-trimethylacridine
CID 610451
10-[3-(9,9-dimethylacridin-10-yl)-5-phenylphenyl]-9,9-dimethylacridine
CID 59399603

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline?
The IUPAC name of 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline (CID 135299813) is 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline.
What is the SMILES notation for 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline?
The canonical SMILES for 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline is CC(C)c1sc2c(c1-c1ccccc1)N(C(C)C)c1ccccc1C2(C)C.
What is the InChIKey of 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline?
The InChIKey is XQRAXDVNMPVTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NS/c1-16(2)23-21(18-12-8-7-9-13-18)22-24(27-23)25(5,6)19-14-10-11-15-20(19)26(22)17(3)4/h7-17H,1-6H3.
What are the key properties of 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline?
9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline has a molecular weight of 375.58 g/mol, XLogP of 7.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-phenyl-2,4-di(propan-2-yl)thieno[3,2-b]quinoline is sourced from PubChem (CID 135299813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).