N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide

C25H29N3O3 — CID 174193589

IUPACN-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide
SMILESCc1cc(N)c2c(OCC(NC(=O)c3ccc4c(c3)OCCC4)C(C)C)cccc2n1
InChIInChI=1S/C25H29N3O3/c1-15(2)21(28-25(29)18-10-9-17-6-5-11-30-23(17)13-18)14-31-22-8-4-7-20-24(22)19(26)12-16(3)27-20/h4,7-10,12-13,15,21H,5-6,11,14H2,1-3H3,(H2,26,27)(H,28,29)
InChIKeyGHTZHWOEPKPNFV-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.28
Rot. Bonds6

About N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide

N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide (PubChem CID 174193589) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide
PubChem CID174193589
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide
SMILESCc1cc(N)c2c(OCC(NC(=O)c3ccc4c(c3)OCCC4)C(C)C)cccc2n1
InChIInChI=1S/C25H29N3O3/c1-15(2)21(28-25(29)18-10-9-17-6-5-11-30-23(17)13-18)14-31-22-8-4-7-20-24(22)19(26)12-16(3)27-20/h4,7-10,12-13,15,21H,5-6,11,14H2,1-3H3,(H2,26,27)(H,28,29)
InChIKeyGHTZHWOEPKPNFV-UHFFFAOYSA-N
XLogP4.28
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide?
The IUPAC name of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide (CID 174193589) is N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide.
What is the SMILES notation for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide?
The canonical SMILES for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide is Cc1cc(N)c2c(OCC(NC(=O)c3ccc4c(c3)OCCC4)C(C)C)cccc2n1.
What is the InChIKey of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide?
The InChIKey is GHTZHWOEPKPNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-15(2)21(28-25(29)18-10-9-17-6-5-11-30-23(17)13-18)14-31-22-8-4-7-20-24(22)19(26)12-16(3)27-20/h4,7-10,12-13,15,21H,5-6,11,14H2,1-3H3,(H2,26,27)(H,28,29).
What are the key properties of N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide?
N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-methylquinolin-5-yl)oxy-3-methylbutan-2-yl]-3,4-dihydro-2H-chromene-7-carboxamide is sourced from PubChem (CID 174193589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).