N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide

C21H21N5O2 — CID 69014977

IUPACN-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(NC4CC4)c3c2)cc1
InChIInChI=1S/C21H21N5O2/c1-12(27)22-16-6-3-14(4-7-16)15-5-10-19-18(11-15)20(24-17-8-9-17)26-21(25-19)23-13(2)28/h3-7,10-11,17H,8-9H2,1-2H3,(H,22,27)(H2,23,24,25,26,28)
InChIKeyKULNUIPZEHEQPV-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide

N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide (PubChem CID 69014977) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide
PubChem CID69014977
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(NC4CC4)c3c2)cc1
InChIInChI=1S/C21H21N5O2/c1-12(27)22-16-6-3-14(4-7-16)15-5-10-19-18(11-15)20(24-17-8-9-17)26-21(25-19)23-13(2)28/h3-7,10-11,17H,8-9H2,1-2H3,(H,22,27)(H2,23,24,25,26,28)
InChIKeyKULNUIPZEHEQPV-UHFFFAOYSA-N
XLogP3.79
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide?
The IUPAC name of N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide (CID 69014977) is N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc3nc(NC(C)=O)nc(NC4CC4)c3c2)cc1.
What is the InChIKey of N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide?
The InChIKey is KULNUIPZEHEQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-12(27)22-16-6-3-14(4-7-16)15-5-10-19-18(11-15)20(24-17-8-9-17)26-21(25-19)23-13(2)28/h3-7,10-11,17H,8-9H2,1-2H3,(H,22,27)(H2,23,24,25,26,28).
What are the key properties of N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide?
N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-acetamido-4-(cyclopropylamino)quinazolin-6-yl]phenyl]acetamide is sourced from PubChem (CID 69014977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).