N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide

C26H30N4O2 — CID 58829076

IUPACN-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ccc2c1
InChIInChI=1S/C26H30N4O2/c1-18-2-3-21(26(31)28-22-6-7-22)17-23(18)19-4-8-24-20(16-19)5-9-25(29-24)27-10-11-30-12-14-32-15-13-30/h2-5,8-9,16-17,22H,6-7,10-15H2,1H3,(H,27,29)(H,28,31)
InChIKeyIDUDGVSHTJFOPP-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.85
Rot. Bonds7

About N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide

N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide (PubChem CID 58829076) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
PubChem CID58829076
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ccc2c1
InChIInChI=1S/C26H30N4O2/c1-18-2-3-21(26(31)28-22-6-7-22)17-23(18)19-4-8-24-20(16-19)5-9-25(29-24)27-10-11-30-12-14-32-15-13-30/h2-5,8-9,16-17,22H,6-7,10-15H2,1H3,(H,27,29)(H,28,31)
InChIKeyIDUDGVSHTJFOPP-UHFFFAOYSA-N
XLogP3.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
N-cyclopropyl-6-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 117081828
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
N-cyclopropyl-4-methyl-3-(3-morpholin-4-yl-1,2-benzoxazol-6-yl)benzamide
CID 10384952
2-[4-(cyclopropylcarbamoyl)phenyl]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 117088266
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methyl-N-(oxan-4-yl)benzamide
CID 67975023
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228
N-cyclopropyl-4-methyl-3-[3-(2-morpholin-4-yl-2-oxoethyl)-1,2-benzoxazol-6-yl]benzamide
CID 10251505

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide (CID 58829076) is N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ccc2c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide?
The InChIKey is IDUDGVSHTJFOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-18-2-3-21(26(31)28-22-6-7-22)17-23(18)19-4-8-24-20(16-19)5-9-25(29-24)27-10-11-30-12-14-32-15-13-30/h2-5,8-9,16-17,22H,6-7,10-15H2,1H3,(H,27,29)(H,28,31).
What are the key properties of N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide?
N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide has a molecular weight of 430.55 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinolin-6-yl]benzamide is sourced from PubChem (CID 58829076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).