6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide

C25H25N5O2 — CID 66761932

IUPAC6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc2cc(-c3cc(C(N)=O)c4ncnc(N[C@H]5CCCNC5)c4c3)ccc2c1
InChIInChI=1S/C25H25N5O2/c1-32-20-7-6-15-9-16(4-5-17(15)10-20)18-11-21(24(26)31)23-22(12-18)25(29-14-28-23)30-19-3-2-8-27-13-19/h4-7,9-12,14,19,27H,2-3,8,13H2,1H3,(H2,26,31)(H,28,29,30)/t19-/m0/s1
InChIKeyWTXOBVPDUBTCKU-IBGZPJMESA-N
MW427.51 g/mol
LogP3.72
Rot. Bonds5

About 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide

6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide (PubChem CID 66761932) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide
PubChem CID66761932
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide
SMILESCOc1ccc2cc(-c3cc(C(N)=O)c4ncnc(N[C@H]5CCCNC5)c4c3)ccc2c1
InChIInChI=1S/C25H25N5O2/c1-32-20-7-6-15-9-16(4-5-17(15)10-20)18-11-21(24(26)31)23-22(12-18)25(29-14-28-23)30-19-3-2-8-27-13-19/h4-7,9-12,14,19,27H,2-3,8,13H2,1H3,(H2,26,31)(H,28,29,30)/t19-/m0/s1
InChIKeyWTXOBVPDUBTCKU-IBGZPJMESA-N
XLogP3.72
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide?
The IUPAC name of 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide (CID 66761932) is 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide is COc1ccc2cc(-c3cc(C(N)=O)c4ncnc(N[C@H]5CCCNC5)c4c3)ccc2c1.
What is the InChIKey of 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide?
The InChIKey is WTXOBVPDUBTCKU-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25N5O2/c1-32-20-7-6-15-9-16(4-5-17(15)10-20)18-11-21(24(26)31)23-22(12-18)25(29-14-28-23)30-19-3-2-8-27-13-19/h4-7,9-12,14,19,27H,2-3,8,13H2,1H3,(H2,26,31)(H,28,29,30)/t19-/m0/s1.
What are the key properties of 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide?
6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxynaphthalen-2-yl)-4-[[(3S)-piperidin-3-yl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 66761932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).