N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

C23H32N4O2S — CID 46679027

IUPACN-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
SMILESCC(Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCC1CCCCC1
InChIInChI=1S/C23H32N4O2S/c1-17(22(28)24-15-18-7-3-2-4-8-18)30-23-19-9-5-6-10-20(19)25-21(26-23)16-27-11-13-29-14-12-27/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,24,28)
InChIKeyGGOFWINXRMHIHG-UHFFFAOYSA-N
MW428.60 g/mol
LogP3.64
Rot. Bonds7

About N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide

N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide (PubChem CID 46679027) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
PubChem CID46679027
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC NameN-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
SMILESCC(Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCC1CCCCC1
InChIInChI=1S/C23H32N4O2S/c1-17(22(28)24-15-18-7-3-2-4-8-18)30-23-19-9-5-6-10-20(19)25-21(26-23)16-27-11-13-29-14-12-27/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,24,28)
InChIKeyGGOFWINXRMHIHG-UHFFFAOYSA-N
XLogP3.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 46687739
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55497939
(2S)-N-(4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30239510
(2R)-1-(4-benzylpiperidin-1-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 30091571
N-[2-(difluoromethoxy)phenyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24585275
1-(4-chlorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 16581408
N-(3-fluoro-4-methylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 24585269
1-(1H-indol-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one
CID 42929503
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30282204
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30282196
N-(2-chloro-5-nitrophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 55490611
N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide (CID 46679027) is N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide is CC(Sc1nc(CN2CCOCC2)nc2ccccc12)C(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
The InChIKey is GGOFWINXRMHIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-17(22(28)24-15-18-7-3-2-4-8-18)30-23-19-9-5-6-10-20(19)25-21(26-23)16-27-11-13-29-14-12-27/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H,24,28).
What are the key properties of N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide?
N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide has a molecular weight of 428.60 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide is sourced from PubChem (CID 46679027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).