N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

C18H17ClN4OS — CID 86839632

IUPACN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccsc1
InChIInChI=1S/C18H17ClN4OS/c19-13-1-2-15-16(9-13)20-11-21-17(15)23-6-3-14(4-7-23)22-18(24)12-5-8-25-10-12/h1-2,5,8-11,14H,3-4,6-7H2,(H,22,24)
InChIKeyVFHDQECNBIJYPQ-UHFFFAOYSA-N
MW372.88 g/mol
LogP3.74
Rot. Bonds3

About N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 86839632) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
PubChem CID86839632
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC NameN-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccsc1
InChIInChI=1S/C18H17ClN4OS/c19-13-1-2-15-16(9-13)20-11-21-17(15)23-6-3-14(4-7-23)22-18(24)12-5-8-25-10-12/h1-2,5,8-11,14H,3-4,6-7H2,(H,22,24)
InChIKeyVFHDQECNBIJYPQ-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 24829708
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2-methylfuran-3-carboxamide
CID 86884110
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-2,5-difluorobenzamide;N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-3,4-difluorobenzamide
CID 87611497
2-chloro-N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]-4-nitrobenzamide
CID 24830041
2-[4-(7-chloroquinazolin-4-yl)piperazin-1-yl]-N-cyclopropyl-2-oxoacetamide
CID 87015310
1-(7-chloroquinazolin-4-yl)piperidin-4-ol
CID 17488821
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 128948618
N-[1-(6-chloroquinazolin-4-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171997340
1-(6-chloroquinazolin-4-yl)-N-cyclopropylpiperidine-4-carboxamide
CID 163352823
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]thiophene-3-carboxamide
CID 133273015
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide (CID 86839632) is N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(c2ncnc3cc(Cl)ccc23)CC1)c1ccsc1.
What is the InChIKey of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is VFHDQECNBIJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c19-13-1-2-15-16(9-13)20-11-21-17(15)23-6-3-14(4-7-23)22-18(24)12-5-8-25-10-12/h1-2,5,8-11,14H,3-4,6-7H2,(H,22,24).
What are the key properties of N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide?
N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinazolin-4-yl)piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 86839632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).