2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide

C19H22N6O3 — CID 58082159

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
SMILESCc1nnc(CNC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)o1
InChIInChI=1S/C19H22N6O3/c1-11-24-25-17(28-11)10-20-18(27)12-2-3-13-9-21-19(23-16(13)8-12)22-14-4-6-15(26)7-5-14/h2-3,8-9,14-15,26H,4-7,10H2,1H3,(H,20,27)(H,21,22,23)
InChIKeySWOAMLHHESXVOK-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.97
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide (PubChem CID 58082159) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
PubChem CID58082159
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide
SMILESCc1nnc(CNC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)o1
InChIInChI=1S/C19H22N6O3/c1-11-24-25-17(28-11)10-20-18(27)12-2-3-13-9-21-19(23-16(13)8-12)22-14-4-6-15(26)7-5-14/h2-3,8-9,14-15,26H,4-7,10H2,1H3,(H,20,27)(H,21,22,23)
InChIKeySWOAMLHHESXVOK-UHFFFAOYSA-N
XLogP1.97
TPSA126.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide (CID 58082159) is 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide is Cc1nnc(CNC(=O)c2ccc3cnc(NC4CCC(O)CC4)nc3c2)o1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide?
The InChIKey is SWOAMLHHESXVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11-24-25-17(28-11)10-20-18(27)12-2-3-13-9-21-19(23-16(13)8-12)22-14-4-6-15(26)7-5-14/h2-3,8-9,14-15,26H,4-7,10H2,1H3,(H,20,27)(H,21,22,23).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazoline-7-carboxamide is sourced from PubChem (CID 58082159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).