N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide

C19H18N4O2 — CID 84577436

IUPACN-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2ncn3c2COc2ccccc2-3)c1
InChIInChI=1S/C19H18N4O2/c1-22(2)14-7-5-6-13(10-14)21-19(24)18-16-11-25-17-9-4-3-8-15(17)23(16)12-20-18/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyMKKJJBRPYFMYMT-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.08
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide

N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (PubChem CID 84577436) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
PubChem CID84577436
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2ncn3c2COc2ccccc2-3)c1
InChIInChI=1S/C19H18N4O2/c1-22(2)14-7-5-6-13(10-14)21-19(24)18-16-11-25-17-9-4-3-8-15(17)23(16)12-20-18/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyMKKJJBRPYFMYMT-UHFFFAOYSA-N
XLogP3.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585516
N-[3-(dimethylamino)phenyl]pyrimido[4,5-b]indolizine-10-carboxamide
CID 142925539
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-(dimethylamino)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484314
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108505690
methyl 4-amino-1-(4H-imidazo[5,1-c][1,4]benzoxazine-3-carbonylimino)-1-oxothiane-4-carboxylate;hydrochloride
CID 166392580
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
N-[3-(dimethylamino)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574864
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-chloro-N-[3-(dimethylamino)phenyl]-6-hydrazinylpyridine-2-carboxamide
CID 115379438

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (CID 84577436) is N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide is CN(C)c1cccc(NC(=O)c2ncn3c2COc2ccccc2-3)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
The InChIKey is MKKJJBRPYFMYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-22(2)14-7-5-6-13(10-14)21-19(24)18-16-11-25-17-9-4-3-8-15(17)23(16)12-20-18/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide?
N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide is sourced from PubChem (CID 84577436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).