6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide

C26H32N6O3 — CID 169158099

IUPAC6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCNC1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)NC5CCOCC5)cn4)nc23)CC1
InChIInChI=1S/C26H32N6O3/c1-27-19-6-8-21(9-7-19)35-22-4-2-3-17-15-29-26(32-24(17)22)31-23-10-5-18(16-28-23)25(33)30-20-11-13-34-14-12-20/h2-5,10,15-16,19-21,27H,6-9,11-14H2,1H3,(H,30,33)(H,28,29,31,32)
InChIKeyIFRDSHQMHBSGSU-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.59
Rot. Bonds7

About 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide

6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 169158099) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID169158099
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESCNC1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)NC5CCOCC5)cn4)nc23)CC1
InChIInChI=1S/C26H32N6O3/c1-27-19-6-8-21(9-7-19)35-22-4-2-3-17-15-29-26(32-24(17)22)31-23-10-5-18(16-28-23)25(33)30-20-11-13-34-14-12-20/h2-5,10,15-16,19-21,27H,6-9,11-14H2,1H3,(H,30,33)(H,28,29,31,32)
InChIKeyIFRDSHQMHBSGSU-UHFFFAOYSA-N
XLogP3.59
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 58082692
2-[(4-hydroxycyclohexyl)amino]-N-(oxan-4-yl)quinazoline-8-carboxamide
CID 58082154
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
morpholin-4-yl-[4-[[8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]methanone
CID 67102421
2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158054
2-(cyclohexylamino)-N-(oxolan-3-yl)quinazoline-8-carboxamide
CID 71159589
2-chloro-8-(oxan-4-yloxy)quinazoline
CID 58082185
N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829

Frequently Asked Questions

What is the IUPAC name of 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 169158099) is 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide is CNC1CCC(Oc2cccc3cnc(Nc4ccc(C(=O)NC5CCOCC5)cn4)nc23)CC1.
What is the InChIKey of 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is IFRDSHQMHBSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-27-19-6-8-21(9-7-19)35-22-4-2-3-17-15-29-26(32-24(17)22)31-23-10-5-18(16-28-23)25(33)30-20-11-13-34-14-12-20/h2-5,10,15-16,19-21,27H,6-9,11-14H2,1H3,(H,30,33)(H,28,29,31,32).
What are the key properties of 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide?
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 169158099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).