1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one

C24H25N5O3S — CID 171089383

IUPAC1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cc3c(Nc4ccc5ncsc5c4)ncnc3cc2OC)CC1
InChIInChI=1S/C24H25N5O3S/c1-3-23(30)29-8-6-16(7-9-29)32-21-11-17-19(12-20(21)31-2)25-13-26-24(17)28-15-4-5-18-22(10-15)33-14-27-18/h4-5,10-14,16H,3,6-9H2,1-2H3,(H,25,26,28)
InChIKeyIYRIVWAURAQDBM-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.77
Rot. Bonds6

About 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one

1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one (PubChem CID 171089383) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
PubChem CID171089383
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Oc2cc3c(Nc4ccc5ncsc5c4)ncnc3cc2OC)CC1
InChIInChI=1S/C24H25N5O3S/c1-3-23(30)29-8-6-16(7-9-29)32-21-11-17-19(12-20(21)31-2)25-13-26-24(17)28-15-4-5-18-22(10-15)33-14-27-18/h4-5,10-14,16H,3,6-9H2,1-2H3,(H,25,26,28)
InChIKeyIYRIVWAURAQDBM-UHFFFAOYSA-N
XLogP4.77
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-[4-(3,4-dichloroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128361
1-[4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-4-hydroxybutan-1-one
CID 58294920
1-[4-[4-(3-bromoanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25128049
1-[4-[7-methoxy-4-(quinolin-6-ylamino)quinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 167487866
1-[4-[4-(4-fluoro-3-methoxyanilino)-6-methoxyquinazolin-7-yl]oxypiperidin-1-yl]-2-hydroxypropan-1-one
CID 143016050
1-[4-[4-(3-chloro-4-hydroxyanilino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 25123749
cyclopentyl-[4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]piperidin-1-yl]methanone
CID 11306395
1-[4-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]-2-hydroxyethanone
CID 11692459
1-[4-[4-[3-(hydroxymethyl)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 155243048
4-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-methylpiperidine-1-carboxamide
CID 20819693
4-N-(1,3-benzothiazol-6-yl)-7-methoxyquinazoline-4,6-diamine
CID 171088906
1-[4-[4-[4-chloro-3-(trifluoromethyl)anilino]-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]prop-2-en-1-one
CID 152812807

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one (CID 171089383) is 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one is CCC(=O)N1CCC(Oc2cc3c(Nc4ccc5ncsc5c4)ncnc3cc2OC)CC1.
What is the InChIKey of 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one?
The InChIKey is IYRIVWAURAQDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-3-23(30)29-8-6-16(7-9-29)32-21-11-17-19(12-20(21)31-2)25-13-26-24(17)28-15-4-5-18-22(10-15)33-14-27-18/h4-5,10-14,16H,3,6-9H2,1-2H3,(H,25,26,28).
What are the key properties of 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one?
1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one has a molecular weight of 463.56 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-benzothiazol-6-ylamino)-7-methoxyquinazolin-6-yl]oxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 171089383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).