(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

C19H27N5OS — CID 92839691

IUPAC(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCNc1nc(S[C@H](C)C(=O)N2CCN(CC)CC2)nc2ccccc12
InChIInChI=1S/C19H27N5OS/c1-4-20-17-15-8-6-7-9-16(15)21-19(22-17)26-14(3)18(25)24-12-10-23(5-2)11-13-24/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21,22)/t14-/m1/s1
InChIKeyCVXFSJRJQQVFLB-CQSZACIVSA-N
MW373.53 g/mol
LogP2.71
Rot. Bonds6

About (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 92839691) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID92839691
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCNc1nc(S[C@H](C)C(=O)N2CCN(CC)CC2)nc2ccccc12
InChIInChI=1S/C19H27N5OS/c1-4-20-17-15-8-6-7-9-16(15)21-19(22-17)26-14(3)18(25)24-12-10-23(5-2)11-13-24/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21,22)/t14-/m1/s1
InChIKeyCVXFSJRJQQVFLB-CQSZACIVSA-N
XLogP2.71
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 92839691) is (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one is CCNc1nc(S[C@H](C)C(=O)N2CCN(CC)CC2)nc2ccccc12.
What is the InChIKey of (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is CVXFSJRJQQVFLB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-4-20-17-15-8-6-7-9-16(15)21-19(22-17)26-14(3)18(25)24-12-10-23(5-2)11-13-24/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 373.53 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 92839691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).