N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide

C26H23Cl2N5O — CID 68879453

IUPACN-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
SMILESO=C(NC1CCN(c2ncnc3cc(Nc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C26H23Cl2N5O/c27-22-8-4-7-21(24(22)28)26(34)32-18-11-13-33(14-12-18)25-20-10-9-19(15-23(20)29-16-30-25)31-17-5-2-1-3-6-17/h1-10,15-16,18,31H,11-14H2,(H,32,34)
InChIKeyWXNLLSHVYNULGD-UHFFFAOYSA-N
MW492.41 g/mol
LogP6.08
Rot. Bonds5

About N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide

N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide (PubChem CID 68879453) has the molecular formula C26H23Cl2N5O and a molecular weight of 492.41 g/mol. Its IUPAC name is N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
PubChem CID68879453
Molecular FormulaC26H23Cl2N5O
Molecular Weight492.41 g/mol
Exact Mass491.13
IUPAC NameN-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide
SMILESO=C(NC1CCN(c2ncnc3cc(Nc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C26H23Cl2N5O/c27-22-8-4-7-21(24(22)28)26(34)32-18-11-13-33(14-12-18)25-20-10-9-19(15-23(20)29-16-30-25)31-17-5-2-1-3-6-17/h1-10,15-16,18,31H,11-14H2,(H,32,34)
InChIKeyWXNLLSHVYNULGD-UHFFFAOYSA-N
XLogP6.08
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.41
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(7-bromoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(8-chloroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 161021022
methyl 4-[4-[4-[(2,3-dichlorobenzoyl)amino]piperidin-1-yl]quinazolin-7-yl]benzoate
CID 68879918
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide
CID 24831481
2-chloro-N-(4-pyrrolidin-1-ylquinazolin-7-yl)benzamide
CID 53137404
benzene;2,3-dichloro-N-[1-(3-ethynylisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 87610883
2,3-dichloro-N-[1-[7-(2-phenylethynyl)quinolin-4-yl]piperidin-4-yl]benzamide
CID 24831638
2,3-dichloro-N-[1-(6-cyanoisoquinolin-1-yl)piperidin-4-yl]benzamide
CID 68879436
2,3-dichloro-N-[1-[7-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 68878574
2,3-dichloro-N-(1-isoquinolin-1-ylpiperidin-4-yl)benzamide;2,3-dichloro-N-[1-[6-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 161483146
N-[1-[5,7-bis(trifluoromethyl)quinazolin-4-yl]piperidin-4-yl]-2,3-dichlorobenzamide;2,3-dichloro-N-[1-(6,8-difluoroquinazolin-4-yl)piperidin-4-yl]benzamide
CID 87611673
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
2,3-dichloro-N-[1-[5-(trifluoromethyl)isoquinolin-1-yl]piperidin-4-yl]benzamide
CID 68879893

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide?
The IUPAC name of N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide (CID 68879453) is N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide.
What is the SMILES notation for N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide?
The canonical SMILES for N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide is O=C(NC1CCN(c2ncnc3cc(Nc4ccccc4)ccc23)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide?
The InChIKey is WXNLLSHVYNULGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N5O/c27-22-8-4-7-21(24(22)28)26(34)32-18-11-13-33(14-12-18)25-20-10-9-19(15-23(20)29-16-30-25)31-17-5-2-1-3-6-17/h1-10,15-16,18,31H,11-14H2,(H,32,34).
What are the key properties of N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide?
N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide has a molecular weight of 492.41 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-anilinoquinazolin-4-yl)piperidin-4-yl]-2,3-dichlorobenzamide is sourced from PubChem (CID 68879453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).