N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride

C18H20ClN5O — CID 52995658

IUPACN-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1.Cl
InChIInChI=1S/C18H19N5O.ClH/c1-12(24)19-13-7-6-8-14(11-13)20-18-21-16-10-5-4-9-15(16)17(22-18)23(2)3;/h4-11H,1-3H3,(H,19,24)(H,20,21,22);1H
InChIKeyLOCZBDJOQSJZMD-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.82
Rot. Bonds4

About N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride

N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride (PubChem CID 52995658) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride
PubChem CID52995658
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1.Cl
InChIInChI=1S/C18H19N5O.ClH/c1-12(24)19-13-7-6-8-14(11-13)20-18-21-16-10-5-4-9-15(16)17(22-18)23(2)3;/h4-11H,1-3H3,(H,19,24)(H,20,21,22);1H
InChIKeyLOCZBDJOQSJZMD-UHFFFAOYSA-N
XLogP3.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-anilinoquinazolin-2-yl)amino]phenyl]acetamide
CID 71690531
2-[[2-(3-acetamidoanilino)quinazolin-4-yl]amino]acetic acid
CID 91963942
4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
CID 50944573
4-N,4-N-dimethyl-2-N-pyridin-3-ylquinazoline-2,4-diamine
CID 71691122
N-(4-anilinoquinazolin-2-yl)acetamide
CID 69107194
4-N,4-N-dimethyl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazoline-2,4-diamine
CID 166368992
N-[3-[[4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]quinazolin-2-yl]amino]phenyl]acetamide
CID 175678392
4-[[4-(dimethylamino)quinazolin-2-yl]amino]-N-(3-nitrophenyl)cyclohexane-1-carboxamide
CID 68883218
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]-4-methyl-2-phenylpyrimidine-5-carboxamide;methane
CID 161130058
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexane-1-carboxamide
CID 69015517
1-[3-[[4-(cyclopropylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 50946478

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride (CID 52995658) is N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride is CC(=O)Nc1cccc(Nc2nc(N(C)C)c3ccccc3n2)c1.Cl.
What is the InChIKey of N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride?
The InChIKey is LOCZBDJOQSJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O.ClH/c1-12(24)19-13-7-6-8-14(11-13)20-18-21-16-10-5-4-9-15(16)17(22-18)23(2)3;/h4-11H,1-3H3,(H,19,24)(H,20,21,22);1H.
What are the key properties of N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride?
N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride has a molecular weight of 357.85 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(dimethylamino)quinazolin-2-yl]amino]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 52995658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).