N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide

C29H32N6O3S — CID 59262844

IUPACN-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C29H32N6O3S/c36-26(9-12-34-10-2-1-3-11-34)31-21-5-4-6-22(17-21)32-29-30-19-20-7-8-24-23(27(20)33-29)18-25(39-24)28(37)35-13-15-38-16-14-35/h4-8,17-19H,1-3,9-16H2,(H,31,36)(H,30,32,33)
InChIKeyVSZCAAJNFHGUGU-UHFFFAOYSA-N
MW544.68 g/mol
LogP4.88
Rot. Bonds7

About N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide

N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 59262844) has the molecular formula C29H32N6O3S and a molecular weight of 544.68 g/mol. Its IUPAC name is N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID59262844
Molecular FormulaC29H32N6O3S
Molecular Weight544.68 g/mol
Exact Mass544.23
IUPAC NameN-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C29H32N6O3S/c36-26(9-12-34-10-2-1-3-11-34)31-21-5-4-6-22(17-21)32-29-30-19-20-7-8-24-23(27(20)33-29)18-25(39-24)28(37)35-13-15-38-16-14-35/h4-8,17-19H,1-3,9-16H2,(H,31,36)(H,30,32,33)
InChIKeyVSZCAAJNFHGUGU-UHFFFAOYSA-N
XLogP4.88
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.68
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide (CID 59262844) is N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1.
What is the InChIKey of N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is VSZCAAJNFHGUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O3S/c36-26(9-12-34-10-2-1-3-11-34)31-21-5-4-6-22(17-21)32-29-30-19-20-7-8-24-23(27(20)33-29)18-25(39-24)28(37)35-13-15-38-16-14-35/h4-8,17-19H,1-3,9-16H2,(H,31,36)(H,30,32,33).
What are the key properties of N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide?
N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 544.68 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 59262844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).