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

C28H30N6O4S — CID 59262620

IUPACN-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C28H30N6O4S/c35-25(6-7-33-8-12-37-13-9-33)30-20-2-1-3-21(16-20)31-28-29-18-19-4-5-23-22(26(19)32-28)17-24(39-23)27(36)34-10-14-38-15-11-34/h1-5,16-18H,6-15H2,(H,30,35)(H,29,31,32)
InChIKeyBLFJZDLJAXZJFD-UHFFFAOYSA-N
MW546.65 g/mol
LogP3.72
Rot. Bonds7

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

N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide (PubChem CID 59262620) has the molecular formula C28H30N6O4S and a molecular weight of 546.65 g/mol. Its IUPAC name is N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide
PubChem CID59262620
Molecular FormulaC28H30N6O4S
Molecular Weight546.65 g/mol
Exact Mass546.20
IUPAC NameN-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCOCC5)cc4c3n2)c1
InChIInChI=1S/C28H30N6O4S/c35-25(6-7-33-8-12-37-13-9-33)30-20-2-1-3-21(16-20)31-28-29-18-19-4-5-23-22(26(19)32-28)17-24(39-23)27(36)34-10-14-38-15-11-34/h1-5,16-18H,6-15H2,(H,30,35)(H,29,31,32)
InChIKeyBLFJZDLJAXZJFD-UHFFFAOYSA-N
XLogP3.72
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.65
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-morpholin-4-ylpropanamide?
The IUPAC name of N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide (CID 59262620) is N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)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-morpholin-4-ylpropanamide?
The InChIKey is BLFJZDLJAXZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O4S/c35-25(6-7-33-8-12-37-13-9-33)30-20-2-1-3-21(16-20)31-28-29-18-19-4-5-23-22(26(19)32-28)17-24(39-23)27(36)34-10-14-38-15-11-34/h1-5,16-18H,6-15H2,(H,30,35)(H,29,31,32).
What are the key properties of N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide?
N-[3-[[8-(morpholine-4-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]-3-morpholin-4-ylpropanamide has a molecular weight of 546.65 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 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-morpholin-4-ylpropanamide is sourced from PubChem (CID 59262620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).