N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide

C20H26N4O3 — CID 25292249

About N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide

N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide (PubChem CID 25292249) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide
• PubChem CID: 25292249
• Molecular Formula: C20H26N4O3
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.20
• IUPAC Name: N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide
• SMILES: Cc1ccoc1C(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21
• InChI: InChI=1S/C20H26N4O3/c1-13-7-10-27-18(13)19(26)22-16-3-2-4-17-15(16)11-21-20(23-17)24-8-5-14(12-25)6-9-24/h7,10-11,14,16,25H,2-6,8-9,12H2,1H3,(H,22,26)/t16-/m0/s1
• InChIKey: HCDOWFGKRKHJDP-INIZCTEOSA-N
• XLogP: 2.39
• TPSA: 91.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide?

The IUPAC name of N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide (CID 25292249) is N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide.

What is the SMILES notation for N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide?

The canonical SMILES for N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)N[C@H]1CCCc2nc(N3CCC(CO)CC3)ncc21.

What is the InChIKey of N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide?

The InChIKey is HCDOWFGKRKHJDP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-7-10-27-18(13)19(26)22-16-3-2-4-17-15(16)11-21-20(23-17)24-8-5-14(12-25)6-9-24/h7,10-11,14,16,25H,2-6,8-9,12H2,1H3,(H,22,26)/t16-/m0/s1.

What are the key properties of N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide?

N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5S)-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-5-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 25292249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).