N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide

C19H15BrN6O — CID 59452173

IUPACN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C19H15BrN6O/c1-11(27)24-16-5-12(14-9-22-23-10-14)6-17(7-16)25-19-21-8-13-4-15(20)2-3-18(13)26-19/h2-10H,1H3,(H,22,23)(H,24,27)(H,21,25,26)
InChIKeyLQIMXMXSKJBSQT-UHFFFAOYSA-N
MW423.27 g/mol
LogP4.48
Rot. Bonds4

About N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide

N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide (PubChem CID 59452173) has the molecular formula C19H15BrN6O and a molecular weight of 423.27 g/mol. Its IUPAC name is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide
PubChem CID59452173
Molecular FormulaC19H15BrN6O
Molecular Weight423.27 g/mol
Exact Mass422.05
IUPAC NameN-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1
InChIInChI=1S/C19H15BrN6O/c1-11(27)24-16-5-12(14-9-22-23-10-14)6-17(7-16)25-19-21-8-13-4-15(20)2-3-18(13)26-19/h2-10H,1H3,(H,22,23)(H,24,27)(H,21,25,26)
InChIKeyLQIMXMXSKJBSQT-UHFFFAOYSA-N
XLogP4.48
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.27
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide (CID 59452173) is N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide is CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2cn[nH]c2)c1.
What is the InChIKey of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide?
The InChIKey is LQIMXMXSKJBSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O/c1-11(27)24-16-5-12(14-9-22-23-10-14)6-17(7-16)25-19-21-8-13-4-15(20)2-3-18(13)26-19/h2-10H,1H3,(H,22,23)(H,24,27)(H,21,25,26).
What are the key properties of N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide?
N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide has a molecular weight of 423.27 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1H-pyrazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 59452173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).