N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide

C18H11ClN4O2S — CID 2813563

IUPACN-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1)c1cccs1
InChIInChI=1S/C18H11ClN4O2S/c19-11-3-5-13-14(8-11)21-10-22-18(13)25-16-6-4-12(9-20-16)23-17(24)15-2-1-7-26-15/h1-10H,(H,23,24)
InChIKeySXRFWGIFALIPNY-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.78
Rot. Bonds4

About N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide

N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 2813563) has the molecular formula C18H11ClN4O2S and a molecular weight of 382.83 g/mol. Its IUPAC name is N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide
PubChem CID2813563
Molecular FormulaC18H11ClN4O2S
Molecular Weight382.83 g/mol
Exact Mass382.03
IUPAC NameN-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1)c1cccs1
InChIInChI=1S/C18H11ClN4O2S/c19-11-3-5-13-14(8-11)21-10-22-18(13)25-16-6-4-12(9-20-16)23-17(24)15-2-1-7-26-15/h1-10H,(H,23,24)
InChIKeySXRFWGIFALIPNY-UHFFFAOYSA-N
XLogP4.78
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide (CID 2813563) is N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1)c1cccs1.
What is the InChIKey of N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is SXRFWGIFALIPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4O2S/c19-11-3-5-13-14(8-11)21-10-22-18(13)25-16-6-4-12(9-20-16)23-17(24)15-2-1-7-26-15/h1-10H,(H,23,24).
What are the key properties of N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide?
N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 2813563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).