4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol

C27H29N5O2 — CID 167399826

IUPAC4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
SMILESCC(CN)Oc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2ccc(-c3cc(O)cc4ccccc34)cc2n1
InChIInChI=1S/C27H29N5O2/c1-16(13-28)34-27-30-25-11-18(24-12-21(33)10-17-4-2-3-5-22(17)24)6-9-23(25)26(31-27)32-14-19-7-8-20(15-32)29-19/h2-6,9-12,16,19-20,29,33H,7-8,13-15,28H2,1H3/t16?,19-,20+
InChIKeyXZMFNCRUSWQGBQ-XGSMCBPESA-N
MW455.56 g/mol
LogP3.82
Rot. Bonds5

About 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol

4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol (PubChem CID 167399826) has the molecular formula C27H29N5O2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol.

Molecular Properties

Compound Name4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
PubChem CID167399826
Molecular FormulaC27H29N5O2
Molecular Weight455.56 g/mol
Exact Mass455.23
IUPAC Name4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol
SMILESCC(CN)Oc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2ccc(-c3cc(O)cc4ccccc34)cc2n1
InChIInChI=1S/C27H29N5O2/c1-16(13-28)34-27-30-25-11-18(24-12-21(33)10-17-4-2-3-5-22(17)24)6-9-23(25)26(31-27)32-14-19-7-8-20(15-32)29-19/h2-6,9-12,16,19-20,29,33H,7-8,13-15,28H2,1H3/t16?,19-,20+
InChIKeyXZMFNCRUSWQGBQ-XGSMCBPESA-N
XLogP3.82
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol with MolForge

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Related Compounds

4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[(1-methylazetidin-2-yl)methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 162766624
3-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]oxy-N,N-dimethylpropanamide
CID 162766141
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)quinazolin-7-yl]naphthalen-2-ol
CID 162766139
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]quinazolin-7-yl]naphthalen-2-ol
CID 167400335
3-[[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]amino]-N,N-dimethylpropanamide
CID 162766642
4-[2-(3-amino-2,2-dimethylpropoxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 175854173
4-[2-(3-amino-2,2-dimethylpropoxy)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoroquinazolin-7-yl]naphthalen-2-ol
CID 162765842
2-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]oxymethyl]propane-1,3-diol
CID 162765776
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-methoxy-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[3,2-d]pyrimidin-7-yl]naphthalen-2-ol
CID 170362407
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(3,3,3-trifluoropropoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 164521427
N-[3-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)quinazolin-2-yl]oxy-2,2-dimethylpropyl]acetamide
CID 162766070
4-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 162766495

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?
The IUPAC name of 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol (CID 167399826) is 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol.
What is the SMILES notation for 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?
The canonical SMILES for 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol is CC(CN)Oc1nc(N2C[C@H]3CC[C@@H](C2)N3)c2ccc(-c3cc(O)cc4ccccc34)cc2n1.
What is the InChIKey of 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?
The InChIKey is XZMFNCRUSWQGBQ-XGSMCBPESA-N. The full InChI is InChI=1S/C27H29N5O2/c1-16(13-28)34-27-30-25-11-18(24-12-21(33)10-17-4-2-3-5-22(17)24)6-9-23(25)26(31-27)32-14-19-7-8-20(15-32)29-19/h2-6,9-12,16,19-20,29,33H,7-8,13-15,28H2,1H3/t16?,19-,20+.
What are the key properties of 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol?
4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol has a molecular weight of 455.56 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminopropan-2-yloxy)-4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]quinazolin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 167399826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).