methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate

C24H27N5O3 — CID 138535696

IUPACmethyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc4c(c3)CN(C)C(=O)N4)nc2c1
InChIInChI=1S/C24H27N5O3/c1-28-14-17-12-15(8-9-19(17)26-24(28)31)21-22(25-18-6-4-3-5-7-18)29-11-10-16(23(30)32-2)13-20(29)27-21/h8-13,18,25H,3-7,14H2,1-2H3,(H,26,31)
InChIKeyIIJPJHKTNMYHLM-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.51
Rot. Bonds4

About methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 138535696) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID138535696
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Namemethyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc4c(c3)CN(C)C(=O)N4)nc2c1
InChIInChI=1S/C24H27N5O3/c1-28-14-17-12-15(8-9-19(17)26-24(28)31)21-22(25-18-6-4-3-5-7-18)29-11-10-16(23(30)32-2)13-20(29)27-21/h8-13,18,25H,3-7,14H2,1-2H3,(H,26,31)
InChIKeyIIJPJHKTNMYHLM-UHFFFAOYSA-N
XLogP4.51
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate with MolForge

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Related Compounds

methyl 3-(cyclohexylamino)-2-(3-methyl-1,2-benzoxazol-5-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 138535792
6-[3-(cyclohexylamino)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-7-yl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 137410595
methyl 4-[7-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]benzoate
CID 23738412
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 4-methoxybenzoate
CID 3537498
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] 3-methoxybenzoate
CID 3349972
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 42743325
6-[3-(tert-butylamino)imidazo[1,2-a]pyrazin-2-yl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 138535695
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] furan-2-carboxylate
CID 3916477
4-[3-(cyclopentylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 855600
[4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3536358
4-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
CID 861991
[3-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] cyclopentanecarboxylate
CID 3295389

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 138535696) is methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(NC3CCCCC3)c(-c3ccc4c(c3)CN(C)C(=O)N4)nc2c1.
What is the InChIKey of methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is IIJPJHKTNMYHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-28-14-17-12-15(8-9-19(17)26-24(28)31)21-22(25-18-6-4-3-5-7-18)29-11-10-16(23(30)32-2)13-20(29)27-21/h8-13,18,25H,3-7,14H2,1-2H3,(H,26,31).
What are the key properties of methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclohexylamino)-2-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 138535696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).