N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide

C20H24N6O3S — CID 155528302

IUPACN-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnc(NC4CCNCC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H24N6O3S/c1-29-20-18(26-30(2,27)28)10-14(11-22-20)13-3-4-17-16(9-13)19(24-12-23-17)25-15-5-7-21-8-6-15/h3-4,9-12,15,21,26H,5-8H2,1-2H3,(H,23,24,25)
InChIKeySUZUMAKJLZMXFL-UHFFFAOYSA-N
MW428.52 g/mol
LogP2.24
Rot. Bonds6

About N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide

N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 155528302) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
PubChem CID155528302
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC NameN-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2ccc3ncnc(NC4CCNCC4)c3c2)cc1NS(C)(=O)=O
InChIInChI=1S/C20H24N6O3S/c1-29-20-18(26-30(2,27)28)10-14(11-22-20)13-3-4-17-16(9-13)19(24-12-23-17)25-15-5-7-21-8-6-15/h3-4,9-12,15,21,26H,5-8H2,1-2H3,(H,23,24,25)
InChIKeySUZUMAKJLZMXFL-UHFFFAOYSA-N
XLogP2.24
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide (CID 155528302) is N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is COc1ncc(-c2ccc3ncnc(NC4CCNCC4)c3c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is SUZUMAKJLZMXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-29-20-18(26-30(2,27)28)10-14(11-22-20)13-3-4-17-16(9-13)19(24-12-23-17)25-15-5-7-21-8-6-15/h3-4,9-12,15,21,26H,5-8H2,1-2H3,(H,23,24,25).
What are the key properties of N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide?
N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 428.52 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 155528302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).