3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide

C26H27N5O2 — CID 135547602

IUPAC3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide
SMILESCC(C)Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(N(C)C)c4)c3)c(O)cc2n1
InChIInChI=1S/C26H27N5O2/c1-16(2)28-26-27-15-19-13-22(24(32)14-23(19)30-26)17-7-5-9-20(11-17)29-25(33)18-8-6-10-21(12-18)31(3)4/h5-16,32H,1-4H3,(H,29,33)(H,27,28,30)
InChIKeyDOUWZYXJMBFUSC-UHFFFAOYSA-N
MW441.54 g/mol
LogP5.14
Rot. Bonds6

About 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide

3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide (PubChem CID 135547602) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide
PubChem CID135547602
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide
SMILESCC(C)Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(N(C)C)c4)c3)c(O)cc2n1
InChIInChI=1S/C26H27N5O2/c1-16(2)28-26-27-15-19-13-22(24(32)14-23(19)30-26)17-7-5-9-20(11-17)29-25(33)18-8-6-10-21(12-18)31(3)4/h5-16,32H,1-4H3,(H,29,33)(H,27,28,30)
InChIKeyDOUWZYXJMBFUSC-UHFFFAOYSA-N
XLogP5.14
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.54
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-N-[3-[7-phenylmethoxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]pyridine-4-carboxamide
CID 67061710
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-[2-(propan-2-ylamino)quinazolin-6-yl]benzoic acid
CID 67061417
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
3-(dimethylamino)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160840
4-[[3-(dimethylamino)benzoyl]amino]pyridine-2-carboxylic acid
CID 63651857
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide (CID 135547602) is 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide is CC(C)Nc1ncc2cc(-c3cccc(NC(=O)c4cccc(N(C)C)c4)c3)c(O)cc2n1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide?
The InChIKey is DOUWZYXJMBFUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-16(2)28-26-27-15-19-13-22(24(32)14-23(19)30-26)17-7-5-9-20(11-17)29-25(33)18-8-6-10-21(12-18)31(3)4/h5-16,32H,1-4H3,(H,29,33)(H,27,28,30).
What are the key properties of 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide?
3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide has a molecular weight of 441.54 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[7-hydroxy-2-(propan-2-ylamino)quinazolin-6-yl]phenyl]benzamide is sourced from PubChem (CID 135547602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).