N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide

C24H24ClN5O5S2 — CID 135197646

IUPACN-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H24ClN5O5S2/c1-13-17-9-14(11-19(22(17)29-24(26)28-13)35-16-5-7-34-8-6-16)15-10-18(23(33-2)27-12-15)30-37(31,32)21-4-3-20(25)36-21/h3-4,9-12,16,30H,5-8H2,1-2H3,(H2,26,28,29)
InChIKeyJCRXQCMCFXOERV-UHFFFAOYSA-N
MW562.07 g/mol
LogP4.66
Rot. Bonds7

About N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide

N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide (PubChem CID 135197646) has the molecular formula C24H24ClN5O5S2 and a molecular weight of 562.07 g/mol. Its IUPAC name is N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
PubChem CID135197646
Molecular FormulaC24H24ClN5O5S2
Molecular Weight562.07 g/mol
Exact Mass561.09
IUPAC NameN-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C24H24ClN5O5S2/c1-13-17-9-14(11-19(22(17)29-24(26)28-13)35-16-5-7-34-8-6-16)15-10-18(23(33-2)27-12-15)30-37(31,32)21-4-3-20(25)36-21/h3-4,9-12,16,30H,5-8H2,1-2H3,(H2,26,28,29)
InChIKeyJCRXQCMCFXOERV-UHFFFAOYSA-N
XLogP4.66
TPSA138.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.07
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide (CID 135197646) is N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide is COc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
The InChIKey is JCRXQCMCFXOERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O5S2/c1-13-17-9-14(11-19(22(17)29-24(26)28-13)35-16-5-7-34-8-6-16)15-10-18(23(33-2)27-12-15)30-37(31,32)21-4-3-20(25)36-21/h3-4,9-12,16,30H,5-8H2,1-2H3,(H2,26,28,29).
What are the key properties of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide?
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide has a molecular weight of 562.07 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 135197646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).