1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide

C25H30N4O3 — CID 44577003

IUPAC1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)N1Cc2ccccc2N(CCN2CCOCC2)C1=O
InChIInChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1
InChIKeyNURSILDGFIXGBS-JOCHJYFZSA-N
MW434.54 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide

1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide (PubChem CID 44577003) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide
PubChem CID44577003
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)N1Cc2ccccc2N(CCN2CCOCC2)C1=O
InChIInChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1
InChIKeyNURSILDGFIXGBS-JOCHJYFZSA-N
XLogP3.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide (CID 44577003) is 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)N1Cc2ccccc2N(CCN2CCOCC2)C1=O.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide?
The InChIKey is NURSILDGFIXGBS-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-24(26-22-10-5-8-19-6-1-3-9-21(19)22)29-18-20-7-2-4-11-23(20)28(25(29)31)13-12-27-14-16-32-17-15-27/h1-4,6-7,9,11,22H,5,8,10,12-18H2,(H,26,30)/t22-/m1/s1.
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide?
1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4H-quinazoline-3-carboxamide is sourced from PubChem (CID 44577003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).