8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine

C21H27N7O2S — CID 169158065

IUPAC8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine
SMILESNC1CCC(S(=O)c2cccc3cnc(Nc4cnc(N5CCOCC5)[nH]4)nc23)CC1
InChIInChI=1S/C21H27N7O2S/c22-15-4-6-16(7-5-15)31(29)17-3-1-2-14-12-23-20(27-19(14)17)25-18-13-24-21(26-18)28-8-10-30-11-9-28/h1-3,12-13,15-16H,4-11,22H2,(H,24,26)(H,23,25,27)
InChIKeyQDHZYOJCNITNAJ-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.31
Rot. Bonds5

About 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine

8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine (PubChem CID 169158065) has the molecular formula C21H27N7O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine.

Molecular Properties

Compound Name8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine
PubChem CID169158065
Molecular FormulaC21H27N7O2S
Molecular Weight441.56 g/mol
Exact Mass441.19
IUPAC Name8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine
SMILESNC1CCC(S(=O)c2cccc3cnc(Nc4cnc(N5CCOCC5)[nH]4)nc23)CC1
InChIInChI=1S/C21H27N7O2S/c22-15-4-6-16(7-5-15)31(29)17-3-1-2-14-12-23-20(27-19(14)17)25-18-13-24-21(26-18)28-8-10-30-11-9-28/h1-3,12-13,15-16H,4-11,22H2,(H,24,26)(H,23,25,27)
InChIKeyQDHZYOJCNITNAJ-UHFFFAOYSA-N
XLogP2.31
TPSA122.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine with MolForge

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Related Compounds

8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine
CID 169158071
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
N-(3-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101733
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101585
4-[[8-(morpholin-4-ylmethyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101719
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
8-(3-chlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118163034
N-[2-[[5-chloro-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 24997391
2-N-(4-morpholin-4-ylphenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazoline-2,6-diamine
CID 89102571
[2-cyclopropyl-6-[(8-methylquinazolin-2-yl)amino]-1H-benzimidazol-4-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 142717116
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022

Frequently Asked Questions

What is the IUPAC name of 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine?
The IUPAC name of 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine (CID 169158065) is 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine.
What is the SMILES notation for 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine?
The canonical SMILES for 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine is NC1CCC(S(=O)c2cccc3cnc(Nc4cnc(N5CCOCC5)[nH]4)nc23)CC1.
What is the InChIKey of 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine?
The InChIKey is QDHZYOJCNITNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2S/c22-15-4-6-16(7-5-15)31(29)17-3-1-2-14-12-23-20(27-19(14)17)25-18-13-24-21(26-18)28-8-10-30-11-9-28/h1-3,12-13,15-16H,4-11,22H2,(H,24,26)(H,23,25,27).
What are the key properties of 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine?
8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine has a molecular weight of 441.56 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminocyclohexyl)sulfinyl-N-(2-morpholin-4-yl-1H-imidazol-5-yl)quinazolin-2-amine is sourced from PubChem (CID 169158065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).