4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol

C46H44N10O3S2 — CID 159253188

IUPAC4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1O.Cc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCc1scnc1C.Cc1ncsc1CCO
InChIInChI=1S/C23H21N5OS.C17H14N4O.C6H9NOS/c1-14-9-18-20(11-21(14)29-8-6-22-15(2)27-13-30-22)25-12-26-23(18)28-17-4-3-16-5-7-24-19(16)10-17;1-10-6-13-15(8-16(10)22)19-9-20-17(13)21-12-3-2-11-4-5-18-14(11)7-12;1-5-6(2-3-8)9-4-7-5/h3-5,7,9-13,24H,6,8H2,1-2H3,(H,25,26,28);2-9,18,22H,1H3,(H,19,20,21);4,8H,2-3H2,1H3
InChIKeyKVOGLODIPDIIMG-UHFFFAOYSA-N
MW849.06 g/mol
LogP10.40
Rot. Bonds10

About 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol

4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 159253188) has the molecular formula C46H44N10O3S2 and a molecular weight of 849.06 g/mol. Its IUPAC name is 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID159253188
Molecular FormulaC46H44N10O3S2
Molecular Weight849.06 g/mol
Exact Mass848.30
IUPAC Name4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1O.Cc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCc1scnc1C.Cc1ncsc1CCO
InChIInChI=1S/C23H21N5OS.C17H14N4O.C6H9NOS/c1-14-9-18-20(11-21(14)29-8-6-22-15(2)27-13-30-22)25-12-26-23(18)28-17-4-3-16-5-7-24-19(16)10-17;1-10-6-13-15(8-16(10)22)19-9-20-17(13)21-12-3-2-11-4-5-18-14(11)7-12;1-5-6(2-3-8)9-4-7-5/h3-5,7,9-13,24H,6,8H2,1-2H3,(H,25,26,28);2-9,18,22H,1H3,(H,19,20,21);4,8H,2-3H2,1H3
InChIKeyKVOGLODIPDIIMG-UHFFFAOYSA-N
XLogP10.40
TPSA182.67 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500849.06
LogP ≤ 510.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol with MolForge

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Launch Full Analysis

Related Compounds

6-Methoxy-4-(indol-6-ylamino)-7-(2-(4-methylthiazol-5-yl)ethoxy)quinazoline
CID 22030860
[2-(2-Anilino-7-piperidin-4-yloxyquinazolin-6-yl)-1,3-thiazol-4-yl]methanol
CID 44537829
N-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]-7-piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59199308
[2-[2-Anilino-7-(1-methylpiperidin-4-yl)oxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol
CID 59325512
N-[3-[[6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-7-piperidin-4-yloxyquinazolin-2-yl]amino]phenyl]methanesulfonamide
CID 59325521
N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine
CID 68175220
3-[[7-Piperidin-4-yloxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol
CID 68345804
N-(1H-indol-5-yl)-5-(1-methylpiperidin-4-yl)oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
CID 69843101
N-(1H-indol-5-yl)-5-(1-methylpiperidin-4-yl)oxy-N-(1,3-thiazol-4-ylmethyl)quinazolin-4-amine
CID 69854696
1-[3-[[7-[(3R)-pyrrolidin-3-yl]oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenyl]ethanol
CID 70889661
4-[[7-(1-Methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-yl]amino]phenol
CID 143913326
[2-[2-[3-(Methylsulfanylamino)anilino]-7-piperidin-4-yloxyquinazolin-6-yl]-1,3-thiazol-4-yl]methanol
CID 143913419

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 159253188) is 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol is Cc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1O.Cc1cc2c(Nc3ccc4cc[nH]c4c3)ncnc2cc1OCCc1scnc1C.Cc1ncsc1CCO.
What is the InChIKey of 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is KVOGLODIPDIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS.C17H14N4O.C6H9NOS/c1-14-9-18-20(11-21(14)29-8-6-22-15(2)27-13-30-22)25-12-26-23(18)28-17-4-3-16-5-7-24-19(16)10-17;1-10-6-13-15(8-16(10)22)19-9-20-17(13)21-12-3-2-11-4-5-18-14(11)7-12;1-5-6(2-3-8)9-4-7-5/h3-5,7,9-13,24H,6,8H2,1-2H3,(H,25,26,28);2-9,18,22H,1H3,(H,19,20,21);4,8H,2-3H2,1H3.
What are the key properties of 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 849.06 g/mol, XLogP of 10.40, 10 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-6-ylamino)-6-methylquinazolin-7-ol;N-(1H-indol-6-yl)-6-methyl-7-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-4-amine;2-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 159253188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).