3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea

C26H33N5O3 — CID 59837969

IUPAC3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C26H33N5O3/c1-17(18-8-6-5-7-9-18)29-25-21-14-24(23(33-4)15-22(21)27-16-28-25)34-20-12-10-19(11-13-20)30-26(32)31(2)3/h5-9,14-17,19-20H,10-13H2,1-4H3,(H,30,32)(H,27,28,29)/t17-,19?,20?/m1/s1
InChIKeyFMWLOBKXOKCMQJ-QHGAOEGBSA-N
MW463.58 g/mol
LogP4.77
Rot. Bonds7

About 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea

3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea (PubChem CID 59837969) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
PubChem CID59837969
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Name3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea
SMILESCOc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCC(NC(=O)N(C)C)CC1
InChIInChI=1S/C26H33N5O3/c1-17(18-8-6-5-7-9-18)29-25-21-14-24(23(33-4)15-22(21)27-16-28-25)34-20-12-10-19(11-13-20)30-26(32)31(2)3/h5-9,14-17,19-20H,10-13H2,1-4H3,(H,30,32)(H,27,28,29)/t17-,19?,20?/m1/s1
InChIKeyFMWLOBKXOKCMQJ-QHGAOEGBSA-N
XLogP4.77
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea with MolForge

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Related Compounds

4-[7-methoxy-4-(1-phenylethylamino)quinazolin-6-yl]oxycyclohexan-1-one
CID 67348087
4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexan-1-one
CID 58157263
7-methoxy-N-(1-phenylethyl)-6-piperidin-4-yloxyquinazolin-4-amine
CID 69197419
6-(azetidin-3-yloxy)-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 141221554
[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 59837956
(2,6-dimethylmorpholin-4-yl)-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxypiperidin-1-yl]methanone
CID 59837948
4-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]piperazin-2-one
CID 59158179
7-methoxy-4-N-(1-phenylethyl)quinazoline-4,6-diamine
CID 22269913
6-iodo-7-methoxy-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 69232909
N-[7-cyclopentyloxy-4-(1-phenylethylamino)quinazolin-6-yl]-4-(diethylamino)but-2-enamide
CID 66936910
N-[4-[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxycyclohexyl]-2-methoxyacetamide
CID 25017536
7-[7-methoxy-4-[1-(4-methoxyphenyl)ethylamino]quinazolin-6-yl]oxyheptanoic acid
CID 66755705

Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea (CID 59837969) is 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea is COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OC1CCC(NC(=O)N(C)C)CC1.
What is the InChIKey of 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea?
The InChIKey is FMWLOBKXOKCMQJ-QHGAOEGBSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-17(18-8-6-5-7-9-18)29-25-21-14-24(23(33-4)15-22(21)27-16-28-25)34-20-12-10-19(11-13-20)30-26(32)31(2)3/h5-9,14-17,19-20H,10-13H2,1-4H3,(H,30,32)(H,27,28,29)/t17-,19?,20?/m1/s1.
What are the key properties of 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea?
3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea has a molecular weight of 463.58 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-methoxy-4-[[(1R)-1-phenylethyl]amino]quinazolin-6-yl]oxycyclohexyl]-1,1-dimethylurea is sourced from PubChem (CID 59837969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).