N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C22H20ClN7OS — CID 138604939

IUPACN-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5cnc(Cl)s5)cc4n3)ccn2)CC1
InChIInChI=1S/C22H20ClN7OS/c1-29-6-8-30(9-7-29)19-11-15(4-5-24-19)20(31)28-22-26-12-16-3-2-14(10-17(16)27-22)18-13-25-21(23)32-18/h2-5,10-13H,6-9H2,1H3,(H,26,27,28,31)
InChIKeySYWJUVSBEJKMTA-UHFFFAOYSA-N
MW465.97 g/mol
LogP3.81
Rot. Bonds4

About N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 138604939) has the molecular formula C22H20ClN7OS and a molecular weight of 465.97 g/mol. Its IUPAC name is N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID138604939
Molecular FormulaC22H20ClN7OS
Molecular Weight465.97 g/mol
Exact Mass465.11
IUPAC NameN-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5cnc(Cl)s5)cc4n3)ccn2)CC1
InChIInChI=1S/C22H20ClN7OS/c1-29-6-8-30(9-7-29)19-11-15(4-5-24-19)20(31)28-22-26-12-16-3-2-14(10-17(16)27-22)18-13-25-21(23)32-18/h2-5,10-13H,6-9H2,1H3,(H,26,27,28,31)
InChIKeySYWJUVSBEJKMTA-UHFFFAOYSA-N
XLogP3.81
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.97
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[7-(6-amino-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138588126
2-(4-methylpiperazin-1-yl)-N-(7-pyridin-2-ylquinazolin-2-yl)pyridine-4-carboxamide
CID 138587517
(4-methoxyphenyl)methyl-[5-[2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]quinazolin-7-yl]-1,3-thiazol-2-yl]carbamic acid
CID 138591807
2-(4-methylpiperazin-1-yl)-N-[7-[5-(propan-2-ylamino)-3-pyridinyl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138590574
N-[7-(5-fluoro-3-pyridinyl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138590461
N-[7-[5-(hydroxymethyl)-1-methylpyrazol-4-yl]quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589079
2-(4-methylpiperazin-1-yl)-N-[7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138589711
2-[3-(dimethylamino)azetidin-1-yl]-N-[7-[2-(dimethylamino)-1,3-thiazol-5-yl]quinazolin-2-yl]pyridine-4-carboxamide
CID 138589135
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588228
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138590730
N-[3-(2-amino-1,3-thiazol-5-yl)-1,7-naphthyridin-6-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138589244
2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-[7-(1-methylpyrazol-4-yl)quinazolin-2-yl]pyridine-4-carboxamide
CID 138588324

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 138604939) is N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)Nc3ncc4ccc(-c5cnc(Cl)s5)cc4n3)ccn2)CC1.
What is the InChIKey of N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is SYWJUVSBEJKMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN7OS/c1-29-6-8-30(9-7-29)19-11-15(4-5-24-19)20(31)28-22-26-12-16-3-2-14(10-17(16)27-22)18-13-25-21(23)32-18/h2-5,10-13H,6-9H2,1H3,(H,26,27,28,31).
What are the key properties of N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 465.97 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-chloro-1,3-thiazol-5-yl)quinazolin-2-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 138604939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).