N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide

C19H26N4O2S — CID 129359941

IUPACN-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1nc(NC[C@@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H26N4O2S/c1-3-13(2)21-17(24)12-26-19-22-16-9-5-4-8-15(16)18(23-19)20-11-14-7-6-10-25-14/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,21,24)(H,20,22,23)/t13-,14-/m0/s1
InChIKeyPNNBRWBTMXJZHU-KBPBESRZSA-N
MW374.51 g/mol
LogP3.23
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide

N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide (PubChem CID 129359941) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide
PubChem CID129359941
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide
SMILESCC[C@H](C)NC(=O)CSc1nc(NC[C@@H]2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H26N4O2S/c1-3-13(2)21-17(24)12-26-19-22-16-9-5-4-8-15(16)18(23-19)20-11-14-7-6-10-25-14/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,21,24)(H,20,22,23)/t13-,14-/m0/s1
InChIKeyPNNBRWBTMXJZHU-KBPBESRZSA-N
XLogP3.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide with MolForge

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide
CID 119103714
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 17412559
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 934223
2-(4-methylquinazolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 934221
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]sulfanylacetamide
CID 6616460
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylquinazolin-2-yl)sulfanylacetamide
CID 7223501
2-[4-(3,5-dimethoxyanilino)quinazolin-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 6616434
N-[(2S)-heptan-2-yl]-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 8581829
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007
N-[(2S)-butan-2-yl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 28585328
2-(2-ethylquinazolin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 3749912

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide (CID 129359941) is N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide is CC[C@H](C)NC(=O)CSc1nc(NC[C@@H]2CCCO2)c2ccccc2n1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide?
The InChIKey is PNNBRWBTMXJZHU-KBPBESRZSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-3-13(2)21-17(24)12-26-19-22-16-9-5-4-8-15(16)18(23-19)20-11-14-7-6-10-25-14/h4-5,8-9,13-14H,3,6-7,10-12H2,1-2H3,(H,21,24)(H,20,22,23)/t13-,14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide?
N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide has a molecular weight of 374.51 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[4-[[(2S)-oxolan-2-yl]methylamino]quinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 129359941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).